16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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

C47H34N2 — CID 166032042

IUPAC16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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
SMILESCC(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c1
InChIInChI=1S/C47H34N2/c1-30(2)31-11-10-14-37(23-31)48(36-12-4-3-5-13-36)38-21-19-32-26-42-44(28-34(32)24-38)43-27-33-20-22-39(25-35(33)29-45(42)43)49-46-17-8-6-15-40(46)41-16-7-9-18-47(41)49/h3-30H,1-2H3
InChIKeyMLVZSAFSPAFVGI-UHFFFAOYSA-N
MW626.80 g/mol
LogP13.33
Rot. Bonds5

About 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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

16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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 (PubChem CID 166032042) has the molecular formula C47H34N2 and a molecular weight of 626.80 g/mol. Its IUPAC name is 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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.

Molecular Properties

Compound Name16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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
PubChem CID166032042
Molecular FormulaC47H34N2
Molecular Weight626.80 g/mol
Exact Mass626.27
IUPAC Name16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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
SMILESCC(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c1
InChIInChI=1S/C47H34N2/c1-30(2)31-11-10-14-37(23-31)48(36-12-4-3-5-13-36)38-21-19-32-26-42-44(28-34(32)24-38)43-27-33-20-22-39(25-35(33)29-45(42)43)49-46-17-8-6-15-40(46)41-16-7-9-18-47(41)49/h3-30H,1-2H3
InChIKeyMLVZSAFSPAFVGI-UHFFFAOYSA-N
XLogP13.33
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.80
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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 with MolForge

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Related Compounds

6-N,17-N-diphenyl-6-N,17-N-bis(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032069
3-carbazol-9-yl-N,N-bis(4-phenylphenyl)aniline;3-carbazol-9-yl-N,N-diphenylaniline;4-carbazol-9-yl-N,N-diphenylaniline;N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 162023531
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,9-diphenylcarbazol-1-amine
CID 166032412
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
N-(2-tert-butylphenyl)-16-carbazol-9-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 166033573
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[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 171729097
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
16-phenyl-N-(3-propan-2-ylphenyl)-N-(4-propan-2-ylphenyl)pentacyclo[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 166032756
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

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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?
The IUPAC name of 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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 166032042) is 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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.
What is the SMILES notation for 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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?
The canonical SMILES for 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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 is CC(C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c1.
What is the InChIKey of 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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?
The InChIKey is MLVZSAFSPAFVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2/c1-30(2)31-11-10-14-37(23-31)48(36-12-4-3-5-13-36)38-21-19-32-26-42-44(28-34(32)24-38)43-27-33-20-22-39(25-35(33)29-45(42)43)49-46-17-8-6-15-40(46)41-16-7-9-18-47(41)49/h3-30H,1-2H3.
What are the key properties of 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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?
16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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 has a molecular weight of 626.80 g/mol, XLogP of 13.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[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 is sourced from PubChem (CID 166032042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).