2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline

C50H35N — CID 146414017

IUPAC2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccccc3C3(c4ccccc4)c4ccccc4C4(c5ccccc5)c5ccccc5-c5cccc3c54)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-17-35(18-5-1)36-31-33-39(34-32-36)51-47-30-15-14-28-45(47)49(37-19-6-2-7-20-37)43-26-12-13-27-44(43)50(38-21-8-3-9-22-38)42-25-11-10-23-40(42)41-24-16-29-46(49)48(41)50/h1-34,51H
InChIKeyLLCNMCYOUCNZQA-UHFFFAOYSA-N
MW649.84 g/mol
LogP12.16
Rot. Bonds6

About 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline

2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline (PubChem CID 146414017) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline
PubChem CID146414017
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccccc3C3(c4ccccc4)c4ccccc4C4(c5ccccc5)c5ccccc5-c5cccc3c54)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-17-35(18-5-1)36-31-33-39(34-32-36)51-47-30-15-14-28-45(47)49(37-19-6-2-7-20-37)43-26-12-13-27-44(43)50(38-21-8-3-9-22-38)42-25-11-10-23-40(42)41-24-16-29-46(49)48(41)50/h1-34,51H
InChIKeyLLCNMCYOUCNZQA-UHFFFAOYSA-N
XLogP12.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 512.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 123256418
9-phenyl-N-(2-phenylphenyl)-9-(4-phenylphenyl)fluoren-4-amine
CID 155297478
N-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 172544729
7,7-diphenyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-1-amine
CID 118487061
9,9-diphenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 155297416
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
CID 165158441

Frequently Asked Questions

What is the IUPAC name of 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline (CID 146414017) is 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(Nc3ccccc3C3(c4ccccc4)c4ccccc4C4(c5ccccc5)c5ccccc5-c5cccc3c54)cc2)cc1.
What is the InChIKey of 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is LLCNMCYOUCNZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-4-17-35(18-5-1)36-31-33-39(34-32-36)51-47-30-15-14-28-45(47)49(37-19-6-2-7-20-37)43-26-12-13-27-44(43)50(38-21-8-3-9-22-38)42-25-11-10-23-40(42)41-24-16-29-46(49)48(41)50/h1-34,51H.
What are the key properties of 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline?
2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 649.84 g/mol, XLogP of 12.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 146414017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).