N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine

C55H38N2O — CID 174288542

IUPACN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)c21
InChIInChI=1S/C55H38N2O/c1-55(2)47-21-9-5-17-41(47)44-20-13-25-51(53(44)55)57(38-30-28-37(29-31-38)56-49-23-11-7-18-42(49)43-19-8-12-24-50(43)56)48-22-10-6-15-39(48)36-27-33-52-46(34-36)45-32-26-35-14-3-4-16-40(35)54(45)58-52/h3-34H,1-2H3
InChIKeyCGCUZJMKSNQQMA-UHFFFAOYSA-N
MW742.92 g/mol
LogP15.28
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine

N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine (PubChem CID 174288542) has the molecular formula C55H38N2O and a molecular weight of 742.92 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine
PubChem CID174288542
Molecular FormulaC55H38N2O
Molecular Weight742.92 g/mol
Exact Mass742.30
IUPAC NameN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)c21
InChIInChI=1S/C55H38N2O/c1-55(2)47-21-9-5-17-41(47)44-20-13-25-51(53(44)55)57(38-30-28-37(29-31-38)56-49-23-11-7-18-42(49)43-19-8-12-24-50(43)56)48-22-10-6-15-39(48)36-27-33-52-46(34-36)45-32-26-35-14-3-4-16-40(35)54(45)58-52/h3-34H,1-2H3
InChIKeyCGCUZJMKSNQQMA-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.92
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-phenylaniline
CID 174280518
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-(2-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174288041
N-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-1-yl)dibenzofuran-3-amine
CID 176609471
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 118198554
4-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 176608690
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-4-amine
CID 174279927

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine (CID 174288542) is N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3-c3ccc4oc5c6ccccc6ccc5c4c3)c21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine?
The InChIKey is CGCUZJMKSNQQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O/c1-55(2)47-21-9-5-17-41(47)44-20-13-25-51(53(44)55)57(38-30-28-37(29-31-38)56-49-23-11-7-18-42(49)43-19-8-12-24-50(43)56)48-22-10-6-15-39(48)36-27-33-52-46(34-36)45-32-26-35-14-3-4-16-40(35)54(45)58-52/h3-34H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine?
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine has a molecular weight of 742.92 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)fluoren-1-amine is sourced from PubChem (CID 174288542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).