9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine

C51H40N2 — CID 134361033

IUPAC9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
SMILESCC1(C)c2ccccc2C2=CC=C(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)CC21
InChIInChI=1S/C51H40N2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(41-19-13-16-37(32-41)35-14-5-3-6-15-35)40-27-24-36(25-28-40)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39/h3-33,48H,34H2,1-2H3
InChIKeyRWBWPADRIXLUKU-UHFFFAOYSA-N
MW680.90 g/mol
LogP13.53
Rot. Bonds6

About 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine (PubChem CID 134361033) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
PubChem CID134361033
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Name9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
SMILESCC1(C)c2ccccc2C2=CC=C(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)CC21
InChIInChI=1S/C51H40N2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(41-19-13-16-37(32-41)35-14-5-3-6-15-35)40-27-24-36(25-28-40)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39/h3-33,48H,34H2,1-2H3
InChIKeyRWBWPADRIXLUKU-UHFFFAOYSA-N
XLogP13.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
9,9-dimethyl-N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167280862
3-[9-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole
CID 129298840
9,9-dimethyl-N-[4-[3-methyl-2-[(1Z)-penta-1,4-dienyl]-1-phenylindol-5-yl]phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167046043
N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 144661781
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 162779846
3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 129293023

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine (CID 134361033) is 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine is CC1(C)c2ccccc2C2=CC=C(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3cccc(-c4ccccc4)c3)CC21.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine?
The InChIKey is RWBWPADRIXLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-51(2)47-22-11-9-20-43(47)44-30-29-42(34-48(44)51)52(41-19-13-16-37(32-41)35-14-5-3-6-15-35)40-27-24-36(25-28-40)38-26-31-50-46(33-38)45-21-10-12-23-49(45)53(50)39-17-7-4-8-18-39/h3-33,48H,34H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine?
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine has a molecular weight of 680.90 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine is sourced from PubChem (CID 134361033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).