9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine

C49H29FN2 — CID 156664796

IUPAC9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)cc32)cc1
InChIInChI=1S/C49H29FN2/c50-30-20-22-32(23-21-30)52-45-19-7-5-13-37(45)38-27-25-34(29-46(38)52)51(31-10-2-1-3-11-31)33-24-26-36-40-15-9-17-42-41-16-8-14-39-35-12-4-6-18-43(35)49(47(39)41,48(40)42)44(36)28-33/h1-29H
InChIKeyMJLTVIVHGITDNM-UHFFFAOYSA-N
MW664.78 g/mol
LogP12.72
Rot. Bonds4

About 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine

9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine (PubChem CID 156664796) has the molecular formula C49H29FN2 and a molecular weight of 664.78 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine
PubChem CID156664796
Molecular FormulaC49H29FN2
Molecular Weight664.78 g/mol
Exact Mass664.23
IUPAC Name9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)cc32)cc1
InChIInChI=1S/C49H29FN2/c50-30-20-22-32(23-21-30)52-45-19-7-5-13-37(45)38-27-25-34(29-46(38)52)51(31-10-2-1-3-11-31)33-24-26-36-40-15-9-17-42-41-16-8-14-39-35-12-4-6-18-43(35)49(47(39)41,48(40)42)44(36)28-33/h1-29H
InChIKeyMJLTVIVHGITDNM-UHFFFAOYSA-N
XLogP12.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.78
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-5-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;N-(5-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-3-amine
CID 159860260
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-phenyl-N-(4-phenylphenyl)-9-[9-(4-phenylphenyl)-7-(9,9'-spirobi[fluorene]-1'-yl)carbazol-2-yl]carbazol-2-amine
CID 171418739
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-(4-carbazol-9-ylphenyl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309232
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
N-(9,9-diphenylfluoren-2-yl)-N-phenylheptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,N-diphenylaniline;N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine;3-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-(4-phenylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-3-amine
CID 157370486
2'-carbazol-9-yl-N,N-diphenyl-9,9'-spirobi[fluorene]-3-amine
CID 121423941

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine (CID 156664796) is 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine is Fc1ccc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4ccc5c(c4)C46c7ccccc7-c7cccc(c74)-c4cccc-5c46)cc32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine?
The InChIKey is MJLTVIVHGITDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29FN2/c50-30-20-22-32(23-21-30)52-45-19-7-5-13-37(45)38-27-25-34(29-46(38)52)51(31-10-2-1-3-11-31)33-24-26-36-40-15-9-17-42-41-16-8-14-39-35-12-4-6-18-43(35)49(47(39)41,48(40)42)44(36)28-33/h1-29H.
What are the key properties of 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine?
9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine has a molecular weight of 664.78 g/mol, XLogP of 12.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenylcarbazol-2-amine is sourced from PubChem (CID 156664796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).