N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine

C44H31N — CID 142377963

IUPACN-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)Cc3ccc5c(c3-4)-c3ccccc3C5)cc2)cc1
InChIInChI=1S/C44H31N/c1-3-11-30(12-4-1)31-19-21-32(22-20-31)39-16-9-10-18-42(39)45(37-14-5-2-6-15-37)38-25-26-41-36(29-38)28-35-24-23-34-27-33-13-7-8-17-40(33)43(34)44(35)41/h1-26,29H,27-28H2
InChIKeyJRBPEHAOTUAVTF-UHFFFAOYSA-N
MW573.74 g/mol
LogP11.63
Rot. Bonds5

About N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine

N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine (PubChem CID 142377963) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
PubChem CID142377963
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC NameN-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)Cc3ccc5c(c3-4)-c3ccccc3C5)cc2)cc1
InChIInChI=1S/C44H31N/c1-3-11-30(12-4-1)31-19-21-32(22-20-31)39-16-9-10-18-42(39)45(37-14-5-2-6-15-37)38-25-26-41-36(29-38)28-35-24-23-34-27-33-13-7-8-17-40(33)43(34)44(35)41/h1-26,29H,27-28H2
InChIKeyJRBPEHAOTUAVTF-UHFFFAOYSA-N
XLogP11.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine with MolForge

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Related Compounds

N-(2-phenylphenyl)-N-(4-phenylphenyl)-31-thiaheptacyclo[19.11.0.02,7.08,13.014,19.024,32.025,30]dotriaconta-1(21),2(7),3,5,8,10,12,14,16,18,22,24(32),25,27,29-pentadecaen-5-amine
CID 122504070
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline
CID 142377962
9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166881122
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
3,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254211
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The IUPAC name of N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine (CID 142377963) is N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine.
What is the SMILES notation for N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The canonical SMILES for N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3)c3ccc4c(c3)Cc3ccc5c(c3-4)-c3ccccc3C5)cc2)cc1.
What is the InChIKey of N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
The InChIKey is JRBPEHAOTUAVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-3-11-30(12-4-1)31-19-21-32(22-20-31)39-16-9-10-18-42(39)45(37-14-5-2-6-15-37)38-25-26-41-36(29-38)28-35-24-23-34-27-33-13-7-8-17-40(33)43(34)44(35)41/h1-26,29H,27-28H2.
What are the key properties of N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine?
N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine has a molecular weight of 573.74 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine is sourced from PubChem (CID 142377963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).