9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine

C55H43N — CID 168764885

IUPAC9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5C7CCC5C67)c5ccccc45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H43N/c1-55(2)50-18-10-8-17-44(50)45-27-25-38(33-51(45)55)56(52-19-11-9-14-41(52)34-12-4-3-5-13-34)37-23-20-35(21-24-37)39-28-29-40(43-16-7-6-15-42(39)43)36-22-26-46-49(32-36)54-47-30-31-48(54)53(46)47/h3-29,32-33,47-48,53-54H,30-31H2,1-2H3
InChIKeySBBPESRHXLFSPJ-UHFFFAOYSA-N
MW717.96 g/mol
LogP14.84
Rot. Bonds6

About 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine (PubChem CID 168764885) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
PubChem CID168764885
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC Name9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5C7CCC5C67)c5ccccc45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C55H43N/c1-55(2)50-18-10-8-17-44(50)45-27-25-38(33-51(45)55)56(52-19-11-9-14-41(52)34-12-4-3-5-13-34)37-23-20-35(21-24-37)39-28-29-40(43-16-7-6-15-42(39)43)36-22-26-46-49(32-36)54-47-30-31-48(54)53(46)47/h3-29,32-33,47-48,53-54H,30-31H2,1-2H3
InChIKeySBBPESRHXLFSPJ-UHFFFAOYSA-N
XLogP14.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(4-tetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 168764943
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine
CID 153357613
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine (CID 168764885) is 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5C7CCC5C67)c5ccccc45)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
The InChIKey is SBBPESRHXLFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-55(2)50-18-10-8-17-44(50)45-27-25-38(33-51(45)55)56(52-19-11-9-14-41(52)34-12-4-3-5-13-34)37-23-20-35(21-24-37)39-28-29-40(43-16-7-6-15-42(39)43)36-22-26-46-49(32-36)54-47-30-31-48(54)53(46)47/h3-29,32-33,47-48,53-54H,30-31H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine has a molecular weight of 717.96 g/mol, XLogP of 14.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2-phenylphenyl)-N-[4-[4-(10-tetracyclo[6.4.0.02,6.03,7]dodeca-1(8),9,11-trienyl)naphthalen-1-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 168764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).