N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C165H112N4O3S — CID 139492144

IUPACN-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc(-c6ccc(N(c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)c7ccc(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12cccc%13c%12oc%12c%14c(ccc%12%13)C(C)(C)c%12ccccc%12-%14)cc%11)ccc9-%10)c9c8oc8ccccc89)cc7)cc6)c6oc7ccccc7c6c5)c5c4sc4ccccc45)cc3)cc21
InChIInChI=1S/C165H112N4O3S/c1-163(2)145-44-23-17-38-138(145)157-146(163)93-92-137-136-42-28-41-127(158(136)172-161(137)157)108-59-77-121(78-60-108)167(119-71-53-105(54-72-119)102-31-12-8-13-32-102)124-84-87-133-131-85-67-113(98-147(131)165(5,6)149(133)100-124)125-88-90-128(160-155(125)139-39-20-26-47-153(139)171-160)109-61-75-117(76-62-109)166(116-69-55-106(56-70-116)104-51-49-103(50-52-104)101-29-10-7-11-30-101)118-81-65-111(66-82-118)141-96-114(97-143-135-37-19-25-46-152(135)170-159(141)143)126-89-91-129(162-156(126)140-40-21-27-48-154(140)173-162)110-63-79-122(80-64-110)168(123-83-86-132-130-35-16-22-43-144(130)164(3,4)148(132)99-123)120-73-57-107(58-74-120)112-68-94-151-142(95-112)134-36-18-24-45-150(134)169(151)115-33-14-9-15-34-115/h7-100H,1-6H3
InChIKeyDDWBUCLRHPSZSK-UHFFFAOYSA-N
MW2230.80 g/mol
LogP46.85
Rot. Bonds20

About N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 139492144) has the molecular formula C165H112N4O3S and a molecular weight of 2230.80 g/mol. Its IUPAC name is N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID139492144
Molecular FormulaC165H112N4O3S
Molecular Weight2230.80 g/mol
Exact Mass2228.85
IUPAC NameN-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc(-c6ccc(N(c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)c7ccc(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12cccc%13c%12oc%12c%14c(ccc%12%13)C(C)(C)c%12ccccc%12-%14)cc%11)ccc9-%10)c9c8oc8ccccc89)cc7)cc6)c6oc7ccccc7c6c5)c5c4sc4ccccc45)cc3)cc21
InChIInChI=1S/C165H112N4O3S/c1-163(2)145-44-23-17-38-138(145)157-146(163)93-92-137-136-42-28-41-127(158(136)172-161(137)157)108-59-77-121(78-60-108)167(119-71-53-105(54-72-119)102-31-12-8-13-32-102)124-84-87-133-131-85-67-113(98-147(131)165(5,6)149(133)100-124)125-88-90-128(160-155(125)139-39-20-26-47-153(139)171-160)109-61-75-117(76-62-109)166(116-69-55-106(56-70-116)104-51-49-103(50-52-104)101-29-10-7-11-30-101)118-81-65-111(66-82-118)141-96-114(97-143-135-37-19-25-46-152(135)170-159(141)143)126-89-91-129(162-156(126)140-40-21-27-48-154(140)173-162)110-63-79-122(80-64-110)168(123-83-86-132-130-35-16-22-43-144(130)164(3,4)148(132)99-123)120-73-57-107(58-74-120)112-68-94-151-142(95-112)134-36-18-24-45-150(134)169(151)115-33-14-9-15-34-115/h7-100H,1-6H3
InChIKeyDDWBUCLRHPSZSK-UHFFFAOYSA-N
XLogP46.85
TPSA54.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms173
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002230.80
LogP ≤ 546.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 139492144) is N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc(-c6ccc(N(c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)c7ccc(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9cc(N(c%11ccc(-c%12ccccc%12)cc%11)c%11ccc(-c%12cccc%13c%12oc%12c%14c(ccc%12%13)C(C)(C)c%12ccccc%12-%14)cc%11)ccc9-%10)c9c8oc8ccccc89)cc7)cc6)c6oc7ccccc7c6c5)c5c4sc4ccccc45)cc3)cc21.
What is the InChIKey of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is DDWBUCLRHPSZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C165H112N4O3S/c1-163(2)145-44-23-17-38-138(145)157-146(163)93-92-137-136-42-28-41-127(158(136)172-161(137)157)108-59-77-121(78-60-108)167(119-71-53-105(54-72-119)102-31-12-8-13-32-102)124-84-87-133-131-85-67-113(98-147(131)165(5,6)149(133)100-124)125-88-90-128(160-155(125)139-39-20-26-47-153(139)171-160)109-61-75-117(76-62-109)166(116-69-55-106(56-70-116)104-51-49-103(50-52-104)101-29-10-7-11-30-101)118-81-65-111(66-82-118)141-96-114(97-143-135-37-19-25-46-152(135)170-159(141)143)126-89-91-129(162-156(126)140-40-21-27-48-154(140)173-162)110-63-79-122(80-64-110)168(123-83-86-132-130-35-16-22-43-144(130)164(3,4)148(132)99-123)120-73-57-107(58-74-120)112-68-94-151-142(95-112)134-36-18-24-45-150(134)169(151)115-33-14-9-15-34-115/h7-100H,1-6H3.
What are the key properties of N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 2230.80 g/mol, XLogP of 46.85, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-7-[4-[4-[N-[4-[2-[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]dibenzothiophen-1-yl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)anilino]phenyl]dibenzofuran-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 139492144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).