N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine

C54H37N3O — CID 170286626

IUPACN-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine
SMILESC1=Cc2c(c3c(N(c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5oc6ccccc6c45)cccc3n2-c2ccccc2)CC1
InChIInChI=1S/C54H37N3O/c1-3-17-37(18-4-1)55-46-27-13-9-23-42(46)53-47(55)28-15-29-48(53)57(49-30-16-32-52-54(49)43-24-10-14-31-51(43)58-52)44-25-11-7-21-39(44)36-33-34-41-40-22-8-12-26-45(40)56(50(41)35-36)38-19-5-2-6-20-38/h1-8,10-22,24-35H,9,23H2
InChIKeyBPFLYTZXEUTQFQ-UHFFFAOYSA-N
MW743.91 g/mol
LogP14.72
Rot. Bonds6

About N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine

N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine (PubChem CID 170286626) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine
PubChem CID170286626
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC NameN-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine
SMILESC1=Cc2c(c3c(N(c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5oc6ccccc6c45)cccc3n2-c2ccccc2)CC1
InChIInChI=1S/C54H37N3O/c1-3-17-37(18-4-1)55-46-27-13-9-23-42(46)53-47(55)28-15-29-48(53)57(49-30-16-32-52-54(49)43-24-10-14-31-51(43)58-52)44-25-11-7-21-39(44)36-33-34-41-40-22-8-12-26-45(40)56(50(41)35-36)38-19-5-2-6-20-38/h1-8,10-22,24-35H,9,23H2
InChIKeyBPFLYTZXEUTQFQ-UHFFFAOYSA-N
XLogP14.72
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 167194900
N-dibenzofuran-1-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009626
9-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(7-phenyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 170082267
N,N-diphenyl-5-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795601
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172500744
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
bis(N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine);N-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 158442979
N-dibenzoselenophen-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 158752012
N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298890
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153314933
N-phenyl-5-(9-phenylcarbazol-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176795871

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine (CID 170286626) is N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine is C1=Cc2c(c3c(N(c4ccccc4-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4cccc5oc6ccccc6c45)cccc3n2-c2ccccc2)CC1.
What is the InChIKey of N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine?
The InChIKey is BPFLYTZXEUTQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-3-17-37(18-4-1)55-46-27-13-9-23-42(46)53-47(55)28-15-29-48(53)57(49-30-16-32-52-54(49)43-24-10-14-31-51(43)58-52)44-25-11-7-21-39(44)36-33-34-41-40-22-8-12-26-45(40)56(50(41)35-36)38-19-5-2-6-20-38/h1-8,10-22,24-35H,9,23H2.
What are the key properties of N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine?
N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine has a molecular weight of 743.91 g/mol, XLogP of 14.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-9-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]-5,6-dihydrocarbazol-4-amine is sourced from PubChem (CID 170286626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).