N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine

C49H36N2O — CID 163890115

IUPACN-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3C=CC=CC3O4)ccc2-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc21
InChIInChI=1S/C49H36N2O/c1-49(2)43-29-35(50(33-14-4-3-5-15-33)34-22-25-48-42(28-34)40-17-9-11-19-47(40)52-48)20-23-37(43)38-24-21-36(30-44(38)49)51-45-18-10-8-16-39(45)41-26-31-12-6-7-13-32(31)27-46(41)51/h3-30,40,47H,1-2H3
InChIKeyQAVDURNUXOKRCL-UHFFFAOYSA-N
MW668.84 g/mol
LogP12.68
Rot. Bonds4

About N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine

N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine (PubChem CID 163890115) has the molecular formula C49H36N2O and a molecular weight of 668.84 g/mol. Its IUPAC name is N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine.

Molecular Properties

Compound NameN-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine
PubChem CID163890115
Molecular FormulaC49H36N2O
Molecular Weight668.84 g/mol
Exact Mass668.28
IUPAC NameN-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3C=CC=CC3O4)ccc2-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc21
InChIInChI=1S/C49H36N2O/c1-49(2)43-29-35(50(33-14-4-3-5-15-33)34-22-25-48-42(28-34)40-17-9-11-19-47(40)52-48)20-23-37(43)38-24-21-36(30-44(38)49)51-45-18-10-8-16-39(45)41-26-31-12-6-7-13-32(31)27-46(41)51/h3-30,40,47H,1-2H3
InChIKeyQAVDURNUXOKRCL-UHFFFAOYSA-N
XLogP12.68
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-carbazol-9-yl-9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenylfluoren-2-amine
CID 58390132
N-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-N-phenylcarbazol-2-amine
CID 163526575
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-phenylfluoren-2-amine
CID 58390006
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
5-(9,9-dimethylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-2-yl)benzo[b]carbazol-3-amine
CID 145335035
7-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157400056
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139551201
7-carbazol-9-yl-9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 71038403
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389884
7'-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 58084613
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 58390128

Frequently Asked Questions

What is the IUPAC name of N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine?
The IUPAC name of N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine (CID 163890115) is N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine.
What is the SMILES notation for N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine?
The canonical SMILES for N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine is CC1(C)c2cc(N(c3ccccc3)c3ccc4c(c3)C3C=CC=CC3O4)ccc2-c2ccc(-n3c4ccccc4c4cc5ccccc5cc43)cc21.
What is the InChIKey of N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine?
The InChIKey is QAVDURNUXOKRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2O/c1-49(2)43-29-35(50(33-14-4-3-5-15-33)34-22-25-48-42(28-34)40-17-9-11-19-47(40)52-48)20-23-37(43)38-24-21-36(30-44(38)49)51-45-18-10-8-16-39(45)41-26-31-12-6-7-13-32(31)27-46(41)51/h3-30,40,47H,1-2H3.
What are the key properties of N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine?
N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine has a molecular weight of 668.84 g/mol, XLogP of 12.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzo[b]carbazol-5-yl-9,9-dimethylfluoren-2-yl)-N-phenyl-5a,9a-dihydrodibenzofuran-2-amine is sourced from PubChem (CID 163890115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).