6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine

C50H37N3 — CID 70882539

IUPAC6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2cc3ncc(N(c4ccccc4)c4ccc5ccccc5c4)cc3cc21
InChIInChI=1S/C50H37N3/c1-50(2)47-30-38-29-44(53(40-19-7-4-8-20-40)42-24-22-35-14-10-12-16-37(35)28-42)33-51-49(38)32-46(47)45-26-25-43(31-48(45)50)52(39-17-5-3-6-18-39)41-23-21-34-13-9-11-15-36(34)27-41/h3-33H,1-2H3
InChIKeyVYSRQYAOSUSVFW-UHFFFAOYSA-N
MW679.87 g/mol
LogP13.79
Rot. Bonds6

About 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine

6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine (PubChem CID 70882539) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine.

Molecular Properties

Compound Name6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine
PubChem CID70882539
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2cc3ncc(N(c4ccccc4)c4ccc5ccccc5c4)cc3cc21
InChIInChI=1S/C50H37N3/c1-50(2)47-30-38-29-44(53(40-19-7-4-8-20-40)42-24-22-35-14-10-12-16-37(35)28-42)33-51-49(38)32-46(47)45-26-25-43(31-48(45)50)52(39-17-5-3-6-18-39)41-23-21-34-13-9-11-15-36(34)27-41/h3-33H,1-2H3
InChIKeyVYSRQYAOSUSVFW-UHFFFAOYSA-N
XLogP13.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine
CID 140774313
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
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
2-N-[3-[7-[4-(N-[9,9-dimethyl-7-(N-(4-naphthalen-2-ylphenyl)anilino)fluoren-2-yl]anilino)phenyl]naphthalen-2-yl]phenyl]-2-N-[4-[4-[3-[4-[N-[9,9-dimethyl-7-(N-[4-(3-phenylphenyl)phenyl]anilino)fluoren-2-yl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 134482074
[4-(N-[2-(N-(4-iodosulfanylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)phenyl] thiohypoiodite
CID 126615908
7,9,9-trimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 70902516
8,8-dimethyl-N-naphthalen-2-yl-16-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-5-amine
CID 118633477
12,12-dimethyl-N-phenyl-N-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290640

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine?
The IUPAC name of 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine (CID 70882539) is 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine.
What is the SMILES notation for 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine?
The canonical SMILES for 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2cc3ncc(N(c4ccccc4)c4ccc5ccccc5c4)cc3cc21.
What is the InChIKey of 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine?
The InChIKey is VYSRQYAOSUSVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-50(2)47-30-38-29-44(53(40-19-7-4-8-20-40)42-24-22-35-14-10-12-16-37(35)28-42)33-51-49(38)32-46(47)45-26-25-43(31-48(45)50)52(39-17-5-3-6-18-39)41-23-21-34-13-9-11-15-36(34)27-41/h3-33H,1-2H3.
What are the key properties of 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine?
6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine has a molecular weight of 679.87 g/mol, XLogP of 13.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine is sourced from PubChem (CID 70882539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).