N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine

C52H34N2 — CID 155771642

IUPACN,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)-c3ccccc3-c3cccc4cccc-6c34)cc2)cc1
InChIInChI=1S/C52H34N2/c1-4-14-35(15-5-1)36-26-28-40(29-27-36)53(38-18-6-2-7-19-38)41-30-31-44-49-33-47-46-25-13-17-37-16-12-24-45(52(37)46)42-22-10-11-23-43(42)48(47)34-51(49)54(50(44)32-41)39-20-8-3-9-21-39/h1-34H
InChIKeyHFKRCVKMWLTGHN-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.39
Rot. Bonds5

About N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine

N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine (PubChem CID 155771642) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine.

Molecular Properties

Compound NameN,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine
PubChem CID155771642
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC NameN,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)-c3ccccc3-c3cccc4cccc-6c34)cc2)cc1
InChIInChI=1S/C52H34N2/c1-4-14-35(15-5-1)36-26-28-40(29-27-36)53(38-18-6-2-7-19-38)41-30-31-44-49-33-47-46-25-13-17-37-16-12-24-45(52(37)46)42-22-10-11-23-43(42)48(47)34-51(49)54(50(44)32-41)39-20-8-3-9-21-39/h1-34H
InChIKeyHFKRCVKMWLTGHN-UHFFFAOYSA-N
XLogP14.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine with MolForge

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Related Compounds

N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
3-(4-benzo[b]carbazol-5-ylphenyl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 138467813
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
5-naphthalen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010384
N-[4-(23-oxahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 155429808
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645

Frequently Asked Questions

What is the IUPAC name of N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine?
The IUPAC name of N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine (CID 155771642) is N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine.
What is the SMILES notation for N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine?
The canonical SMILES for N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cc6c(cc5n(-c5ccccc5)c4c3)-c3ccccc3-c3cccc4cccc-6c34)cc2)cc1.
What is the InChIKey of N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine?
The InChIKey is HFKRCVKMWLTGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-4-14-35(15-5-1)36-26-28-40(29-27-36)53(38-18-6-2-7-19-38)41-30-31-44-49-33-47-46-25-13-17-37-16-12-24-45(52(37)46)42-22-10-11-23-43(42)48(47)34-51(49)54(50(44)32-41)39-20-8-3-9-21-39/h1-34H.
What are the key properties of N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine?
N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine has a molecular weight of 686.86 g/mol, XLogP of 14.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,11-diphenyl-N-(4-phenylphenyl)-11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5(10),6,8,12,15,17,19,21,23,25(29),26-tetradecaen-8-amine is sourced from PubChem (CID 155771642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).