N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine

C67H46N2O — CID 170665741

IUPACN-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)c3cccc(-c4ccc5c(c4)oc4ccccc45)c3-c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C67H46N2O/c1-67(2)57-28-12-8-22-50(57)56-42-48(37-39-58(56)67)69(59-29-13-9-23-51(59)54-27-17-32-62-66(54)55-25-10-14-30-60(55)68(62)47-20-4-3-5-21-47)61-31-16-26-49(65(61)46-35-34-43-18-6-7-19-44(43)40-46)45-36-38-53-52-24-11-15-33-63(52)70-64(53)41-45/h3-42H,1-2H3
InChIKeyFUYCJEWFEUVQRQ-UHFFFAOYSA-N
MW895.12 g/mol
LogP18.61
Rot. Bonds7

About N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine

N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine (PubChem CID 170665741) has the molecular formula C67H46N2O and a molecular weight of 895.12 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine
PubChem CID170665741
Molecular FormulaC67H46N2O
Molecular Weight895.12 g/mol
Exact Mass894.36
IUPAC NameN-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)c3cccc(-c4ccc5c(c4)oc4ccccc45)c3-c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C67H46N2O/c1-67(2)57-28-12-8-22-50(57)56-42-48(37-39-58(56)67)69(59-29-13-9-23-51(59)54-27-17-32-62-66(54)55-25-10-14-30-60(55)68(62)47-20-4-3-5-21-47)61-31-16-26-49(65(61)46-35-34-43-18-6-7-19-44(43)40-46)45-36-38-53-52-24-11-15-33-63(52)70-64(53)41-45/h3-42H,1-2H3
InChIKeyFUYCJEWFEUVQRQ-UHFFFAOYSA-N
XLogP18.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 518.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298395
N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine
CID 177281213
4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 170681025
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
CID 170139036
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
CID 138577308
N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009612
N-(9,9-dimethylfluoren-4-yl)-N-naphthalen-2-yl-8-(5-phenylbenzo[b]carbazol-2-yl)dibenzofuran-1-amine
CID 138484797
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
CID 171727025
N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
CID 166002710
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine?
The IUPAC name of N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine (CID 170665741) is N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine?
The canonical SMILES for N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3cccc4c3c3ccccc3n4-c3ccccc3)c3cccc(-c4ccc5c(c4)oc4ccccc45)c3-c3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine?
The InChIKey is FUYCJEWFEUVQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2O/c1-67(2)57-28-12-8-22-50(57)56-42-48(37-39-58(56)67)69(59-29-13-9-23-51(59)54-27-17-32-62-66(54)55-25-10-14-30-60(55)68(62)47-20-4-3-5-21-47)61-31-16-26-49(65(61)46-35-34-43-18-6-7-19-44(43)40-46)45-36-38-53-52-24-11-15-33-63(52)70-64(53)41-45/h3-42H,1-2H3.
What are the key properties of N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine?
N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine has a molecular weight of 895.12 g/mol, XLogP of 18.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-yl-2-naphthalen-2-ylphenyl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 170665741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).