N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine

C53H46N2 — CID 163501443

IUPACN-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine
SMILESCC1CC=Cc2c1n(-c1ccc(-c3ccccc3C3(C)C=CC=CC3)cc1)c1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C53H46N2/c1-36-17-15-22-44-45-23-16-26-49(54(38-18-7-5-8-19-38)40-31-32-43-42-21-10-11-24-46(42)52(2,3)48(43)35-40)51(45)55(50(36)44)39-29-27-37(28-30-39)41-20-9-12-25-47(41)53(4)33-13-6-14-34-53/h5-16,18-33,35-36H,17,34H2,1-4H3
InChIKeyCVBVNODKYFIPPN-UHFFFAOYSA-N
MW710.97 g/mol
LogP14.37
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine

N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine (PubChem CID 163501443) has the molecular formula C53H46N2 and a molecular weight of 710.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine
PubChem CID163501443
Molecular FormulaC53H46N2
Molecular Weight710.97 g/mol
Exact Mass710.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine
SMILESCC1CC=Cc2c1n(-c1ccc(-c3ccccc3C3(C)C=CC=CC3)cc1)c1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C53H46N2/c1-36-17-15-22-44-45-23-16-26-49(54(38-18-7-5-8-19-38)40-31-32-43-42-21-10-11-24-46(42)52(2,3)48(43)35-40)51(45)55(50(36)44)39-29-27-37(28-30-39)41-20-9-12-25-47(41)53(4)33-13-6-14-34-53/h5-16,18-33,35-36H,17,34H2,1-4H3
InChIKeyCVBVNODKYFIPPN-UHFFFAOYSA-N
XLogP14.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine with MolForge

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
9,9-dimethyl-N-[4-(8-methylspiro[7,8-dihydrofluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl)phenyl]-N-phenylfluoren-2-amine
CID 121391719
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
9,9-dimethyl-N-naphthalen-1-yl-N-[5-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221626
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022
N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine (CID 163501443) is N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine is CC1CC=Cc2c1n(-c1ccc(-c3ccccc3C3(C)C=CC=CC3)cc1)c1c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine?
The InChIKey is CVBVNODKYFIPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2/c1-36-17-15-22-44-45-23-16-26-49(54(38-18-7-5-8-19-38)40-31-32-43-42-21-10-11-24-46(42)52(2,3)48(43)35-40)51(45)55(50(36)44)39-29-27-37(28-30-39)41-20-9-12-25-47(41)53(4)33-13-6-14-34-53/h5-16,18-33,35-36H,17,34H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine?
N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine has a molecular weight of 710.97 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-8-methyl-9-[4-[2-(1-methylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-phenyl-7,8-dihydrocarbazol-1-amine is sourced from PubChem (CID 163501443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).