9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

C73H52N2 — CID 58161686

IUPAC9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccccc6c5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C73H52N2/c1-73(2)68-47-57(35-42-64(68)65-43-41-61(48-69(65)73)74(58-36-30-52(31-37-58)49-18-7-3-8-19-49)59-38-32-53(33-39-59)50-20-9-4-10-21-50)62-28-17-29-66-63(62)44-45-67-70(54-23-11-5-12-24-54)71(55-25-13-6-14-26-55)75(72(66)67)60-40-34-51-22-15-16-27-56(51)46-60/h3-48H,1-2H3
InChIKeyIRIXVKARZDZINS-UHFFFAOYSA-N
MW957.23 g/mol
LogP20.05
Rot. Bonds9

About 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 58161686) has the molecular formula C73H52N2 and a molecular weight of 957.23 g/mol. Its IUPAC name is 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID58161686
Molecular FormulaC73H52N2
Molecular Weight957.23 g/mol
Exact Mass956.41
IUPAC Name9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccccc6c5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C73H52N2/c1-73(2)68-47-57(35-42-64(68)65-43-41-61(48-69(65)73)74(58-36-30-52(31-37-58)49-18-7-3-8-19-49)59-38-32-53(33-39-59)50-20-9-4-10-21-50)62-28-17-29-66-63(62)44-45-67-70(54-23-11-5-12-24-54)71(55-25-13-6-14-26-55)75(72(66)67)60-40-34-51-22-15-16-27-56(51)46-60/h3-48H,1-2H3
InChIKeyIRIXVKARZDZINS-UHFFFAOYSA-N
XLogP20.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.23
LogP ≤ 520.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
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
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
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161700
N-[4-(9,9-dimethyl-1-naphthalen-2-yl-2,3-diphenylindeno[1,2-f]indol-7-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58131686
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine;N-[4-[9,9-dimethyl-7-(1,2,3-triphenylbenzo[g]indol-6-yl)fluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(1,2,3-triphenylbenzo[g]indol-6-yl)furan-2-yl]phenyl]aniline
CID 158854741
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-(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
3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11(19),12,14,16-nonaene
CID 58161500
N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccccc6c5)c34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is IRIXVKARZDZINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2/c1-73(2)68-47-57(35-42-64(68)65-43-41-61(48-69(65)73)74(58-36-30-52(31-37-58)49-18-7-3-8-19-49)59-38-32-53(33-39-59)50-20-9-4-10-21-50)62-28-17-29-66-63(62)44-45-67-70(54-23-11-5-12-24-54)71(55-25-13-6-14-26-55)75(72(66)67)60-40-34-51-22-15-16-27-56(51)46-60/h3-48H,1-2H3.
What are the key properties of 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 957.23 g/mol, XLogP of 20.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 58161686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).