N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

C67H48N2 — CID 58161729

IUPACN-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc(-c7ccccc7)cc6)c45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C67H48N2/c1-67(2)61-30-15-14-27-57(61)58-41-40-53(44-62(58)67)68(63-31-16-25-47-20-12-13-26-55(47)63)51-38-34-48(35-39-51)54-28-17-29-59-56(54)42-43-60-64(49-21-8-4-9-22-49)65(50-23-10-5-11-24-50)69(66(59)60)52-36-32-46(33-37-52)45-18-6-3-7-19-45/h3-44H,1-2H3
InChIKeyHBTBESMHVZAVJY-UHFFFAOYSA-N
MW881.14 g/mol
LogP18.38
Rot. Bonds8

About N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine

N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (PubChem CID 58161729) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
PubChem CID58161729
Molecular FormulaC67H48N2
Molecular Weight881.14 g/mol
Exact Mass880.38
IUPAC NameN-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc(-c7ccccc7)cc6)c45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C67H48N2/c1-67(2)61-30-15-14-27-57(61)58-41-40-53(44-62(58)67)68(63-31-16-25-47-20-12-13-26-55(47)63)51-38-34-48(35-39-51)54-28-17-29-59-56(54)42-43-60-64(49-21-8-4-9-22-49)65(50-23-10-5-11-24-50)69(66(59)60)52-36-32-46(33-37-52)45-18-6-3-7-19-45/h3-44H,1-2H3
InChIKeyHBTBESMHVZAVJY-UHFFFAOYSA-N
XLogP18.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
9,9-dimethyl-N-[4-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 58161662
4-N-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 58161658
9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58161686
N-[4-[5-[1-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]-2,3-diphenylindol-5-yl]-2,3-diphenylindol-1-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59184343
9,9-dimethyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;9-phenyl-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]carbazol-3-amine;4-(1,2,3-triphenylbenzo[g]indol-6-yl)-N,N-bis[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline
CID 160966968
N-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]naphthalen-1-amine
CID 58161399
N-(9,9-dimethylfluoren-2-yl)-N-[7-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 58161684
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
CID 58161690
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(4-fluorophenyl)-2,3-diphenylbenzo[g]indol-5-yl]phenyl]-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-5-yl)phenyl]-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(1,2,3-triphenylbenzo[g]indol-5-yl)phenyl]carbazol-3-amine;N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-5-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 161042212
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The IUPAC name of N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine (CID 58161729) is N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine.
What is the SMILES notation for N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The canonical SMILES for N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc(-c7ccccc7)cc6)c45)cc3)c3cccc4ccccc34)cc21.
What is the InChIKey of N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
The InChIKey is HBTBESMHVZAVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-67(2)61-30-15-14-27-57(61)58-41-40-53(44-62(58)67)68(63-31-16-25-47-20-12-13-26-55(47)63)51-38-34-48(35-39-51)54-28-17-29-59-56(54)42-43-60-64(49-21-8-4-9-22-49)65(50-23-10-5-11-24-50)69(66(59)60)52-36-32-46(33-37-52)45-18-6-3-7-19-45/h3-44H,1-2H3.
What are the key properties of N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine?
N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine has a molecular weight of 881.14 g/mol, XLogP of 18.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,3-diphenyl-1-(4-phenylphenyl)benzo[g]indol-6-yl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine is sourced from PubChem (CID 58161729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).