N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine

C43H32N2O — CID 126681140

IUPACN-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C43H32N2O/c1-43(2)36-19-11-12-20-40(36)46-41-28-33(22-24-37(41)43)44(30-14-5-3-6-15-30)32-23-26-38-35(27-32)42-34-18-10-9-13-29(34)21-25-39(42)45(38)31-16-7-4-8-17-31/h3-28H,1-2H3
InChIKeySELXIRJUUBPRGF-UHFFFAOYSA-N
MW592.74 g/mol
LogP11.84
Rot. Bonds4

About N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine

N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine (PubChem CID 126681140) has the molecular formula C43H32N2O and a molecular weight of 592.74 g/mol. Its IUPAC name is N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine
PubChem CID126681140
Molecular FormulaC43H32N2O
Molecular Weight592.74 g/mol
Exact Mass592.25
IUPAC NameN-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C43H32N2O/c1-43(2)36-19-11-12-20-40(36)46-41-28-33(22-24-37(41)43)44(30-14-5-3-6-15-30)32-23-26-38-35(27-32)42-34-18-10-9-13-29(34)21-25-39(42)45(38)31-16-7-4-8-17-31/h3-28H,1-2H3
InChIKeySELXIRJUUBPRGF-UHFFFAOYSA-N
XLogP11.84
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
4-[N-(9,9-dimethylxanthen-3-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 126681162
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-(7-phenylbenzo[c]carbazol-10-yl)dibenzothiophen-2-amine
CID 70853892
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N-naphthalen-1-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-3'-ylcarbazol-3-amine
CID 164794270
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[c]fluorene-7,9'-xanthene]-11-ylcarbazol-3-amine
CID 164730877
N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 90306227
N-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 135299727
2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
CID 157249821
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
CID 164730871

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine?
The IUPAC name of N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine (CID 126681140) is N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine?
The canonical SMILES for N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine is CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine?
The InChIKey is SELXIRJUUBPRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2O/c1-43(2)36-19-11-12-20-40(36)46-41-28-33(22-24-37(41)43)44(30-14-5-3-6-15-30)32-23-26-38-35(27-32)42-34-18-10-9-13-29(34)21-25-39(42)45(38)31-16-7-4-8-17-31/h3-28H,1-2H3.
What are the key properties of N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine?
N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine has a molecular weight of 592.74 g/mol, XLogP of 11.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylxanthen-3-yl)-N,7-diphenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 126681140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).