9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine

C61H44N2 — CID 58161700

IUPAC9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C61H44N2/c1-61(2)55-30-15-14-27-51(55)52-37-36-47(40-56(52)61)62(57-31-16-23-41-18-12-13-26-49(41)57)46-34-32-42(33-35-46)48-28-17-29-53-50(48)38-39-54-58(43-19-6-3-7-20-43)59(44-21-8-4-9-22-44)63(60(53)54)45-24-10-5-11-25-45/h3-40H,1-2H3
InChIKeyYVGRUJFRZQLQEQ-UHFFFAOYSA-N
MW805.04 g/mol
LogP16.71
Rot. Bonds7

About 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine (PubChem CID 58161700) has the molecular formula C61H44N2 and a molecular weight of 805.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
PubChem CID58161700
Molecular FormulaC61H44N2
Molecular Weight805.04 g/mol
Exact Mass804.35
IUPAC Name9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c45)cc3)c3cccc4ccccc34)cc21
InChIInChI=1S/C61H44N2/c1-61(2)55-30-15-14-27-51(55)52-37-36-47(40-56(52)61)62(57-31-16-23-41-18-12-13-26-49(41)57)46-34-32-42(33-35-46)48-28-17-29-53-50(48)38-39-54-58(43-19-6-3-7-20-43)59(44-21-8-4-9-22-44)63(60(53)54)45-24-10-5-11-25-45/h3-40H,1-2H3
InChIKeyYVGRUJFRZQLQEQ-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

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
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
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
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
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-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
CID 58161690
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-7-(1-naphthalen-2-yl-2,3-diphenylbenzo[g]indol-6-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 58161686
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-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
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-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine (CID 58161700) is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4ccc4c(-c6ccccc6)c(-c6ccccc6)n(-c6ccccc6)c45)cc3)c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine?
The InChIKey is YVGRUJFRZQLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N2/c1-61(2)55-30-15-14-27-51(55)52-37-36-47(40-56(52)61)62(57-31-16-23-41-18-12-13-26-49(41)57)46-34-32-42(33-35-46)48-28-17-29-53-50(48)38-39-54-58(43-19-6-3-7-20-43)59(44-21-8-4-9-22-44)63(60(53)54)45-24-10-5-11-25-45/h3-40H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine has a molecular weight of 805.04 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 58161700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).