9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole

C165H114N9- — CID 163638855

IUPAC9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5cccc(-c6ccc(C7=NC(c8ccc(-c9ccccc9)cc8)=NC(c8cccc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc%109)c8)[N-]7)cc6)c5)ccc43)cc21
InChIInChI=1S/C165H114N9/c1-162(2)139-44-20-12-36-119(139)123-72-68-115(94-143(123)162)171-147-48-24-16-40-127(147)131-86-104(60-76-151(131)171)108-64-80-155-135(90-108)136-91-109(105-61-77-152-132(87-105)128-41-17-25-49-148(128)172(152)116-69-73-124-120-37-13-21-45-140(120)163(3,4)144(124)95-116)65-81-156(136)169(155)113-34-28-32-103(84-113)100-54-58-102(59-55-100)160-166-159(101-56-52-99(53-57-101)98-30-10-9-11-31-98)167-161(168-160)112-33-29-35-114(85-112)170-157-82-66-110(106-62-78-153-133(88-106)129-42-18-26-50-149(129)173(153)117-70-74-125-121-38-14-22-46-141(121)164(5,6)145(125)96-117)92-137(157)138-93-111(67-83-158(138)170)107-63-79-154-134(89-107)130-43-19-27-51-150(130)174(154)118-71-75-126-122-39-15-23-47-142(122)165(7,8)146(126)97-118/h9-97,161H,1-8H3/q-1
InChIKeyICMODJKLZUJTIL-UHFFFAOYSA-N
MW2222.79 g/mol
LogP42.78
Rot. Bonds15

About 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole

9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole (PubChem CID 163638855) has the molecular formula C165H114N9- and a molecular weight of 2222.79 g/mol. Its IUPAC name is 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
PubChem CID163638855
Molecular FormulaC165H114N9-
Molecular Weight2222.79 g/mol
Exact Mass2220.92
IUPAC Name9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5cccc(-c6ccc(C7=NC(c8ccc(-c9ccccc9)cc8)=NC(c8cccc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc%109)c8)[N-]7)cc6)c5)ccc43)cc21
InChIInChI=1S/C165H114N9/c1-162(2)139-44-20-12-36-119(139)123-72-68-115(94-143(123)162)171-147-48-24-16-40-127(147)131-86-104(60-76-151(131)171)108-64-80-155-135(90-108)136-91-109(105-61-77-152-132(87-105)128-41-17-25-49-148(128)172(152)116-69-73-124-120-37-13-21-45-140(120)163(3,4)144(124)95-116)65-81-156(136)169(155)113-34-28-32-103(84-113)100-54-58-102(59-55-100)160-166-159(101-56-52-99(53-57-101)98-30-10-9-11-31-98)167-161(168-160)112-33-29-35-114(85-112)170-157-82-66-110(106-62-78-153-133(88-106)129-42-18-26-50-149(129)173(153)117-70-74-125-121-38-14-22-46-141(121)164(5,6)145(125)96-117)92-137(157)138-93-111(67-83-158(138)170)107-63-79-154-134(89-107)130-43-19-27-51-150(130)174(154)118-71-75-126-122-39-15-23-47-142(122)165(7,8)146(126)97-118/h9-97,161H,1-8H3/q-1
InChIKeyICMODJKLZUJTIL-UHFFFAOYSA-N
XLogP42.78
TPSA68.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002222.79
LogP ≤ 542.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole with MolForge

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[6-[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]carbazole
CID 126480816
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
The IUPAC name of 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole (CID 163638855) is 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c(c7)C(C)(C)c7ccccc7-8)ccc5n6-c5cccc(-c6ccc(C7=NC(c8ccc(-c9ccccc9)cc8)=NC(c8cccc(-n9c%10ccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)cc%10c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccc%12c(c%11)C(C)(C)c%11ccccc%11-%12)ccc%109)c8)[N-]7)cc6)c5)ccc43)cc21.
What is the InChIKey of 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
The InChIKey is ICMODJKLZUJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H114N9/c1-162(2)139-44-20-12-36-119(139)123-72-68-115(94-143(123)162)171-147-48-24-16-40-127(147)131-86-104(60-76-151(131)171)108-64-80-155-135(90-108)136-91-109(105-61-77-152-132(87-105)128-41-17-25-49-148(128)172(152)116-69-73-124-120-37-13-21-45-140(120)163(3,4)144(124)95-116)65-81-156(136)169(155)113-34-28-32-103(84-113)100-54-58-102(59-55-100)160-166-159(101-56-52-99(53-57-101)98-30-10-9-11-31-98)167-161(168-160)112-33-29-35-114(85-112)170-157-82-66-110(106-62-78-153-133(88-106)129-42-18-26-50-149(129)173(153)117-70-74-125-121-38-14-22-46-141(121)164(5,6)145(125)96-117)92-137(157)138-93-111(67-83-158(138)170)107-63-79-154-134(89-107)130-43-19-27-51-150(130)174(154)118-71-75-126-122-39-15-23-47-142(122)165(7,8)146(126)97-118/h9-97,161H,1-8H3/q-1.
What are the key properties of 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole?
9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole has a molecular weight of 2222.79 g/mol, XLogP of 42.78, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 163638855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).