9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine

C49H36N2 — CID 167281710

IUPAC9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine
SMILESCC1C=Cc2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5cccc6c5C5=c7ccccc7=CC7=CC=CC6C75)ccc43)ccc2C1
InChIInChI=1S/C49H36N2/c1-31-21-22-33-29-37(24-23-32(33)27-31)51-44-19-8-7-16-40(44)43-30-38(25-26-45(43)51)50(36-13-3-2-4-14-36)46-20-10-18-42-41-17-9-12-35-28-34-11-5-6-15-39(34)49(47(35)41)48(42)46/h2-26,28-31,41,47H,27H2,1H3
InChIKeyYJFZGPDDUPSVLX-UHFFFAOYSA-N
MW652.84 g/mol
LogP10.66
Rot. Bonds4

About 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine

9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine (PubChem CID 167281710) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine.

Molecular Properties

Compound Name9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine
PubChem CID167281710
Molecular FormulaC49H36N2
Molecular Weight652.84 g/mol
Exact Mass652.29
IUPAC Name9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine
SMILESCC1C=Cc2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5cccc6c5C5=c7ccccc7=CC7=CC=CC6C75)ccc43)ccc2C1
InChIInChI=1S/C49H36N2/c1-31-21-22-33-29-37(24-23-32(33)27-31)51-44-19-8-7-16-40(44)43-30-38(25-26-45(43)51)50(36-13-3-2-4-14-36)46-20-10-18-42-41-17-9-12-35-28-34-11-5-6-15-39(34)49(47(35)41)48(42)46/h2-26,28-31,41,47H,27H2,1H3
InChIKeyYJFZGPDDUPSVLX-UHFFFAOYSA-N
XLogP10.66
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.84
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-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-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
17-carbazol-9-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033638
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-(4-carbazol-9-ylphenyl)-3-methyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 144995205
3-[2-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]-N,N-diphenylaniline
CID 170132805
N-[(14S)-14-methyl-3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,9,11,15,17-heptaenyl]-9-naphthalen-2-yl-N-phenylcarbazol-3-amine
CID 167281752
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862

Frequently Asked Questions

What is the IUPAC name of 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine?
The IUPAC name of 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine (CID 167281710) is 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine.
What is the SMILES notation for 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine?
The canonical SMILES for 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine is CC1C=Cc2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5cccc6c5C5=c7ccccc7=CC7=CC=CC6C75)ccc43)ccc2C1.
What is the InChIKey of 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine?
The InChIKey is YJFZGPDDUPSVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2/c1-31-21-22-33-29-37(24-23-32(33)27-31)51-44-19-8-7-16-40(44)43-30-38(25-26-45(43)51)50(36-13-3-2-4-14-36)46-20-10-18-42-41-17-9-12-35-28-34-11-5-6-15-39(34)49(47(35)41)48(42)46/h2-26,28-31,41,47H,27H2,1H3.
What are the key properties of 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine?
9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine has a molecular weight of 652.84 g/mol, XLogP of 10.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine is sourced from PubChem (CID 167281710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).