N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine

C45H29N3 — CID 58835685

IUPACN-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2nc3c4cccc5ccc6cccc(c6c54)c3n2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C45H29N3/c1-3-12-33(13-4-1)45-46-43-39-19-9-15-31-21-22-32-16-10-20-40(42(32)41(31)39)44(43)48(45)37-27-25-36(26-28-37)47(35-17-5-2-6-18-35)38-24-23-30-11-7-8-14-34(30)29-38/h1-29H
InChIKeyLRQTYRNIVNPVGX-UHFFFAOYSA-N
MW611.75 g/mol
LogP12.21
Rot. Bonds5

About N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine

N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine (PubChem CID 58835685) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine
PubChem CID58835685
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC NameN-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2nc3c4cccc5ccc6cccc(c6c54)c3n2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C45H29N3/c1-3-12-33(13-4-1)45-46-43-39-19-9-15-31-21-22-32-16-10-20-40(42(32)41(31)39)44(43)48(45)37-27-25-36(26-28-37)47(35-17-5-2-6-18-35)38-24-23-30-11-7-8-14-34(30)29-38/h1-29H
InChIKeyLRQTYRNIVNPVGX-UHFFFAOYSA-N
XLogP12.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine with MolForge

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Related Compounds

5-N,5-N,10-N,10-N,2-pentakis-phenyl-3-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazole-5,10-diamine
CID 59188554
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 58835662
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
4-[4-[2-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazol-3-yl]phenyl]benzonitrile
CID 132513511
N-(4-carbazol-9-ylphenyl)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-5-amine
CID 177100543
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 88598678
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113
N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 122424952
N-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylbenzo[e]benzimidazol-2-yl)phenyl]naphthalen-1-amine
CID 163826736

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine (CID 58835685) is N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine is c1ccc(-c2nc3c4cccc5ccc6cccc(c6c54)c3n2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine?
The InChIKey is LRQTYRNIVNPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-3-12-33(13-4-1)45-46-43-39-19-9-15-31-21-22-32-16-10-20-40(42(32)41(31)39)44(43)48(45)37-27-25-36(26-28-37)47(35-17-5-2-6-18-35)38-24-23-30-11-7-8-14-34(30)29-38/h1-29H.
What are the key properties of N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine?
N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine has a molecular weight of 611.75 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 58835685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).