9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine

C47H38N2 — CID 70965340

IUPAC9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2C2=CC=C(N(c3ccccc3)c3ccc4ccccc4c3)CC21
InChIInChI=1S/C47H38N2/c1-47(2)45-31-41(48(37-17-5-3-6-18-37)39-23-21-33-13-9-11-15-35(33)29-39)25-27-43(45)44-28-26-42(32-46(44)47)49(38-19-7-4-8-20-38)40-24-22-34-14-10-12-16-36(34)30-40/h3-31,46H,32H2,1-2H3
InChIKeyJHBLMFBMMBEWJF-UHFFFAOYSA-N
MW630.84 g/mol
LogP12.88
Rot. Bonds6

About 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine

9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine (PubChem CID 70965340) has the molecular formula C47H38N2 and a molecular weight of 630.84 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine
PubChem CID70965340
Molecular FormulaC47H38N2
Molecular Weight630.84 g/mol
Exact Mass630.30
IUPAC Name9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2C2=CC=C(N(c3ccccc3)c3ccc4ccccc4c3)CC21
InChIInChI=1S/C47H38N2/c1-47(2)45-31-41(48(37-17-5-3-6-18-37)39-23-21-33-13-9-11-15-35(33)29-39)25-27-43(45)44-28-26-42(32-46(44)47)49(38-19-7-4-8-20-38)40-24-22-34-14-10-12-16-36(34)30-40/h3-31,46H,32H2,1-2H3
InChIKeyJHBLMFBMMBEWJF-UHFFFAOYSA-N
XLogP12.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 134432391
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 70883649
N-(4-tert-butylphenyl)-7-[(E)-2-[7-(N-(4-tert-butylphenyl)anilino)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]ethenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89163985
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 134361033
5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
CID 134442883
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine
CID 123599290
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine?
The IUPAC name of 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine (CID 70965340) is 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine.
What is the SMILES notation for 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine?
The canonical SMILES for 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2C2=CC=C(N(c3ccccc3)c3ccc4ccccc4c3)CC21.
What is the InChIKey of 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine?
The InChIKey is JHBLMFBMMBEWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2/c1-47(2)45-31-41(48(37-17-5-3-6-18-37)39-23-21-33-13-9-11-15-35(33)29-39)25-27-43(45)44-28-26-42(32-46(44)47)49(38-19-7-4-8-20-38)40-24-22-34-14-10-12-16-36(34)30-40/h3-31,46H,32H2,1-2H3.
What are the key properties of 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine?
9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine has a molecular weight of 630.84 g/mol, XLogP of 12.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine is sourced from PubChem (CID 70965340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).