3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine

C174H110N12O4S — CID 154938570

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(-c7ccc8c(c7)sc7cc(-c9nc(-c%10ccccc%10)nc(-c%10cc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc(-c%13ccc%14c(c%13)oc%13cc(-c%15nc(-c%16ccccc%16)nc(-c%16cc(N(c%17ccc(-c%18ccccc%18)cc%17)c%17ccc(-c%18ccccc%18)cc%17)c%17c(c%16)oc%16ccccc%16%17)n%15)ccc%13%14)cc%12)cc%11)c%11c(c%10)oc%10ccccc%10%11)n9)ccc78)cc6)cc5)c5c(c4)oc4ccccc45)n3)cc21
InChIInChI=1S/C174H110N12O4S/c1-174(2)147-50-28-24-46-138(147)139-91-76-126(96-148(139)174)168-175-165(121-40-18-7-19-41-121)178-171(181-168)129-97-149(162-144-47-25-29-51-152(144)187-157(162)102-129)185(134-83-66-115(67-84-134)109-36-14-5-15-37-109)137-89-72-118(73-90-137)112-56-60-120(61-57-112)125-75-94-142-143-95-78-128(106-161(143)191-160(142)105-125)170-177-167(123-44-22-9-23-45-123)180-173(183-170)131-99-151(164-146-49-27-31-53-154(146)189-159(164)104-131)186(135-85-68-116(69-86-135)110-38-16-6-17-39-110)136-87-70-117(71-88-136)111-54-58-119(59-55-111)124-74-92-140-141-93-77-127(101-156(141)190-155(140)100-124)169-176-166(122-42-20-8-21-43-122)179-172(182-169)130-98-150(163-145-48-26-30-52-153(145)188-158(163)103-130)184(132-79-62-113(63-80-132)107-32-10-3-11-33-107)133-81-64-114(65-82-133)108-34-12-4-13-35-108/h3-106H,1-2H3
InChIKeyFUAWKGCAXOJODC-UHFFFAOYSA-N
MW2464.94 g/mol
LogP47.26
Rot. Bonds26

About 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine

3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 154938570) has the molecular formula C174H110N12O4S and a molecular weight of 2464.94 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine
PubChem CID154938570
Molecular FormulaC174H110N12O4S
Molecular Weight2464.94 g/mol
Exact Mass2462.85
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(-c7ccc8c(c7)sc7cc(-c9nc(-c%10ccccc%10)nc(-c%10cc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc(-c%13ccc%14c(c%13)oc%13cc(-c%15nc(-c%16ccccc%16)nc(-c%16cc(N(c%17ccc(-c%18ccccc%18)cc%17)c%17ccc(-c%18ccccc%18)cc%17)c%17c(c%16)oc%16ccccc%16%17)n%15)ccc%13%14)cc%12)cc%11)c%11c(c%10)oc%10ccccc%10%11)n9)ccc78)cc6)cc5)c5c(c4)oc4ccccc45)n3)cc21
InChIInChI=1S/C174H110N12O4S/c1-174(2)147-50-28-24-46-138(147)139-91-76-126(96-148(139)174)168-175-165(121-40-18-7-19-41-121)178-171(181-168)129-97-149(162-144-47-25-29-51-152(144)187-157(162)102-129)185(134-83-66-115(67-84-134)109-36-14-5-15-37-109)137-89-72-118(73-90-137)112-56-60-120(61-57-112)125-75-94-142-143-95-78-128(106-161(143)191-160(142)105-125)170-177-167(123-44-22-9-23-45-123)180-173(183-170)131-99-151(164-146-49-27-31-53-154(146)189-159(164)104-131)186(135-85-68-116(69-86-135)110-38-16-6-17-39-110)136-87-70-117(71-88-136)111-54-58-119(59-55-111)124-74-92-140-141-93-77-127(101-156(141)190-155(140)100-124)169-176-166(122-42-20-8-21-43-122)179-172(182-169)130-98-150(163-145-48-26-30-52-153(145)188-158(163)103-130)184(132-79-62-113(63-80-132)107-32-10-3-11-33-107)133-81-64-114(65-82-133)108-34-12-4-13-35-108/h3-106H,1-2H3
InChIKeyFUAWKGCAXOJODC-UHFFFAOYSA-N
XLogP47.26
TPSA178.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002464.94
LogP ≤ 547.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 163970281
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-amine
CID 170096050
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369807
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964120
2-(1-dibenzothiophen-1-yldibenzofuran-3-yl)-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 162775350
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170301829
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-[4-[1-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162775179

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine (CID 154938570) is 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(-c7ccc8c(c7)sc7cc(-c9nc(-c%10ccccc%10)nc(-c%10cc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12ccc(-c%13ccc%14c(c%13)oc%13cc(-c%15nc(-c%16ccccc%16)nc(-c%16cc(N(c%17ccc(-c%18ccccc%18)cc%17)c%17ccc(-c%18ccccc%18)cc%17)c%17c(c%16)oc%16ccccc%16%17)n%15)ccc%13%14)cc%12)cc%11)c%11c(c%10)oc%10ccccc%10%11)n9)ccc78)cc6)cc5)c5c(c4)oc4ccccc45)n3)cc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is FUAWKGCAXOJODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H110N12O4S/c1-174(2)147-50-28-24-46-138(147)139-91-76-126(96-148(139)174)168-175-165(121-40-18-7-19-41-121)178-171(181-168)129-97-149(162-144-47-25-29-51-152(144)187-157(162)102-129)185(134-83-66-115(67-84-134)109-36-14-5-15-37-109)137-89-72-118(73-90-137)112-56-60-120(61-57-112)125-75-94-142-143-95-78-128(106-161(143)191-160(142)105-125)170-177-167(123-44-22-9-23-45-123)180-173(183-170)131-99-151(164-146-49-27-31-53-154(146)189-159(164)104-131)186(135-85-68-116(69-86-135)110-38-16-6-17-39-110)136-87-70-117(71-88-136)111-54-58-119(59-55-111)124-74-92-140-141-93-77-127(101-156(141)190-155(140)100-124)169-176-166(122-42-20-8-21-43-122)179-172(182-169)130-98-150(163-145-48-26-30-52-153(145)188-158(163)103-130)184(132-79-62-113(63-80-132)107-32-10-3-11-33-107)133-81-64-114(65-82-133)108-34-12-4-13-35-108/h3-106H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine?
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine has a molecular weight of 2464.94 g/mol, XLogP of 47.26, 26 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-N-(4-phenylphenyl)-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-[4-[4-[7-[4-phenyl-6-[1-(4-phenyl-N-(4-phenylphenyl)anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]anilino)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 154938570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).