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

C59H41N3 — CID 90148439

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C59H41N3/c1-59(2)51-21-11-9-19-46(51)47-32-29-44(37-52(47)59)60(43-30-34-54-50(36-43)48-20-10-12-22-53(48)61(54)40-15-5-3-6-16-40)42-27-24-38(25-28-42)45-33-35-56-58-49(45)31-26-39-14-13-23-55(57(39)58)62(56)41-17-7-4-8-18-41/h3-37H,1-2H3
InChIKeyWJIQOMGGMJWCHH-UHFFFAOYSA-N
MW792.00 g/mol
LogP15.91
Rot. Bonds6

About 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

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 (PubChem CID 90148439) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID90148439
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C59H41N3/c1-59(2)51-21-11-9-19-46(51)47-32-29-44(37-52(47)59)60(43-30-34-54-50(36-43)48-20-10-12-22-53(48)61(54)40-15-5-3-6-16-40)42-27-24-38(25-28-42)45-33-35-56-58-49(45)31-26-39-14-13-23-55(57(39)58)62(56)41-17-7-4-8-18-41/h3-37H,1-2H3
InChIKeyWJIQOMGGMJWCHH-UHFFFAOYSA-N
XLogP15.91
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
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
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-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
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
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038406
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
7-carbazol-9-yl-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89212902
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-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c6c4ccc4cccc(c46)n5-c4ccccc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 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?
The InChIKey is WJIQOMGGMJWCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-59(2)51-21-11-9-19-46(51)47-32-29-44(37-52(47)59)60(43-30-34-54-50(36-43)48-20-10-12-22-53(48)61(54)40-15-5-3-6-16-40)42-27-24-38(25-28-42)45-33-35-56-58-49(45)31-26-39-14-13-23-55(57(39)58)62(56)41-17-7-4-8-18-41/h3-37H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 792.00 g/mol, XLogP of 15.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90148439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).