6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine

C55H48N2 — CID 71026522

IUPAC6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine
SMILESCCC1(N(c2ccccc2)c2ccc3ccccc3c2)Cc2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)CC2(CC)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C55H48N2/c1-5-54(56(43-21-9-7-10-22-43)45-27-25-37-17-13-15-19-39(37)29-45)35-41-31-47-48-32-42-36-55(6-2,50(42)34-52(48)53(3,4)51(47)33-49(41)54)57(44-23-11-8-12-24-44)46-28-26-38-18-14-16-20-40(38)30-46/h7-34H,5-6,35-36H2,1-4H3
InChIKeyWGWNTSIQESLCDX-UHFFFAOYSA-N
MW737.00 g/mol
LogP14.30
Rot. Bonds8

About 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine

6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine (PubChem CID 71026522) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine.

Molecular Properties

Compound Name6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine
PubChem CID71026522
Molecular FormulaC55H48N2
Molecular Weight737.00 g/mol
Exact Mass736.38
IUPAC Name6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine
SMILESCCC1(N(c2ccccc2)c2ccc3ccccc3c2)Cc2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)CC2(CC)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C55H48N2/c1-5-54(56(43-21-9-7-10-22-43)45-27-25-37-17-13-15-19-39(37)29-45)35-41-31-47-48-32-42-36-55(6-2,50(42)34-52(48)53(3,4)51(47)33-49(41)54)57(44-23-11-8-12-24-44)46-28-26-38-18-14-16-20-40(38)30-46/h7-34H,5-6,35-36H2,1-4H3
InChIKeyWGWNTSIQESLCDX-UHFFFAOYSA-N
XLogP14.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.00
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-ethyl-9,9-dimethyl-5-N,5-N,13-N,13-N-tetrakis(4-phenylphenyl)-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine
CID 89300605
13-ethyl-5-N,13-N,9,9-tetramethyl-5-N,13-N-dinaphthalen-2-yl-5-propylpentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaene-5,13-diamine
CID 71108336
12-ethyl-8,8-dimethyl-N,N-diphenyl-5-[2-(N-phenylanilino)butan-2-yl]tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaen-12-amine
CID 71177671
N-[4-[5,13-diethyl-9,9-dimethyl-5-[4-(N-naphthalen-2-ylanilino)phenyl]-13-pentacyclo[8.6.0.02,8.04,6.012,15]hexadeca-1(10),2,4(6),7,11,15-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 71027907
N-[4-[12-ethyl-8,8-dimethyl-5-[3-[4-(N-naphthalen-2-ylanilino)phenyl]hexan-3-yl]-12-tetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),3,5,10,14-hexaenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89345033
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
12,12,20,20-tetramethyl-2-N,16-N-dinaphthalen-2-yl-2-N,16-N-diphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1,3,5(13),6,8,10,14,16,18,21,23,25,27-tridecaene-2,16-diamine
CID 89061931
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648

Frequently Asked Questions

What is the IUPAC name of 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine?
The IUPAC name of 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine (CID 71026522) is 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine.
What is the SMILES notation for 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine?
The canonical SMILES for 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine is CCC1(N(c2ccccc2)c2ccc3ccccc3c2)Cc2cc3c(cc21)C(C)(C)c1cc2c(cc1-3)CC2(CC)N(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine?
The InChIKey is WGWNTSIQESLCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N2/c1-5-54(56(43-21-9-7-10-22-43)45-27-25-37-17-13-15-19-39(37)29-45)35-41-31-47-48-32-42-36-55(6-2,50(42)34-52(48)53(3,4)51(47)33-49(41)54)57(44-23-11-8-12-24-44)46-28-26-38-18-14-16-20-40(38)30-46/h7-34H,5-6,35-36H2,1-4H3.
What are the key properties of 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine?
6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine has a molecular weight of 737.00 g/mol, XLogP of 14.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-diethyl-10,10-dimethyl-6-N,14-N-dinaphthalen-2-yl-6-N,14-N-diphenylpentacyclo[9.6.0.02,9.04,7.013,16]heptadeca-1(11),2(9),3,7,12,16-hexaene-6,14-diamine is sourced from PubChem (CID 71026522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).