9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

C59H42N2 — CID 90148446

IUPAC9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C59H42N2/c1-59(2)53-37-44(49-35-36-56-58-52(49)33-25-43-17-12-20-55(57(43)58)61(56)45-18-10-5-11-19-45)26-32-50(53)51-34-31-48(38-54(51)59)60(46-27-21-41(22-28-46)39-13-6-3-7-14-39)47-29-23-42(24-30-47)40-15-8-4-9-16-40/h3-38H,1-2H3
InChIKeyDJHCJFFFTMPFMT-UHFFFAOYSA-N
MW779.00 g/mol
LogP16.15
Rot. Bonds7

About 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 90148446) has the molecular formula C59H42N2 and a molecular weight of 779.00 g/mol. Its IUPAC name is 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID90148446
Molecular FormulaC59H42N2
Molecular Weight779.00 g/mol
Exact Mass778.33
IUPAC Name9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C59H42N2/c1-59(2)53-37-44(49-35-36-56-58-52(49)33-25-43-17-12-20-55(57(43)58)61(56)45-18-10-5-11-19-45)26-32-50(53)51-34-31-48(38-54(51)59)60(46-27-21-41(22-28-46)39-13-6-3-7-14-39)47-29-23-42(24-30-47)40-15-8-4-9-16-40/h3-38H,1-2H3
InChIKeyDJHCJFFFTMPFMT-UHFFFAOYSA-N
XLogP16.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.00
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90148476
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine
CID 90148461
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]carbazol-3-amine
CID 90148439
N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90148448
N-[9,9-dimethyl-7-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)fluoren-2-yl]-N,9-diphenylcarbazol-3-amine
CID 177100411
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 89212871
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-3-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212856
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-[4-[3-(9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-9-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164845717
4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(9-phenylcarbazol-2-yl)fluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-2-yl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 161359621
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009715

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 90148446) is 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is DJHCJFFFTMPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N2/c1-59(2)53-37-44(49-35-36-56-58-52(49)33-25-43-17-12-20-55(57(43)58)61(56)45-18-10-5-11-19-45)26-32-50(53)51-34-31-48(38-54(51)59)60(46-27-21-41(22-28-46)39-13-6-3-7-14-39)47-29-23-42(24-30-47)40-15-8-4-9-16-40/h3-38H,1-2H3.
What are the key properties of 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 779.00 g/mol, XLogP of 16.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 90148446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).