16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine

C50H33N — CID 166032937

IUPAC16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1
InChIInChI=1S/C50H33N/c1-4-11-34(12-5-1)37-21-25-43(26-22-37)51(44-27-23-38(24-28-44)35-13-6-2-7-14-35)50-18-10-17-41-31-47-48-32-42-29-39(36-15-8-3-9-16-36)19-20-40(42)30-46(48)49(47)33-45(41)50/h1-33H
InChIKeySJQFZZNZVUBKCW-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.11
Rot. Bonds6

About 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine

16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine (PubChem CID 166032937) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine.

Molecular Properties

Compound Name16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine
PubChem CID166032937
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC Name16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1
InChIInChI=1S/C50H33N/c1-4-11-34(12-5-1)37-21-25-43(26-22-37)51(44-27-23-38(24-28-44)35-13-6-2-7-14-35)50-18-10-17-41-31-47-48-32-42-29-39(36-15-8-3-9-16-36)19-20-40(42)30-46(48)49(47)33-45(41)50/h1-33H
InChIKeySJQFZZNZVUBKCW-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-5-amine
CID 166031744
N-(16-phenyl-5-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-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 166033003
9-phenyl-N-(17-phenyl-5-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-(4-phenylphenyl)carbazol-2-amine
CID 166033477
16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)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 166032610
N-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]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 166031712
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N,17-diphenyl-N-[1-(3-phenylphenyl)naphthalen-2-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 171728735
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
16-(4-tert-butylphenyl)-N-naphthalen-1-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 166032492
N-[4-(7-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylanthracen-1-amine
CID 176587969

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine?
The IUPAC name of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine (CID 166032937) is 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine.
What is the SMILES notation for 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine?
The canonical SMILES for 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc5c(cc34)-c3cc4ccc(-c6ccccc6)cc4cc3-5)cc2)cc1.
What is the InChIKey of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine?
The InChIKey is SJQFZZNZVUBKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-4-11-34(12-5-1)37-21-25-43(26-22-37)51(44-27-23-38(24-28-44)35-13-6-2-7-14-35)50-18-10-17-41-31-47-48-32-42-29-39(36-15-8-3-9-16-36)19-20-40(42)30-46(48)49(47)33-45(41)50/h1-33H.
What are the key properties of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine?
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine has a molecular weight of 647.82 g/mol, XLogP of 14.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine is sourced from PubChem (CID 166032937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).