N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine

C138H94N12O — CID 159873005

IUPACN,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3ncc(-c4ccccc4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)c3ncc(-c4ccccc4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c3ncc(-c4ccccc4)cn3)cc2)cc1
InChIInChI=1S/C46H30N4O.2C46H32N4/c1-3-11-31(12-4-1)33-19-21-35(22-20-33)49(46-47-29-34(30-48-46)32-13-5-2-6-14-32)36-23-25-43-40(27-36)38-15-7-9-17-42(38)50(43)37-24-26-45-41(28-37)39-16-8-10-18-44(39)51-45;1-4-13-33(14-5-1)36-23-25-39(26-24-36)49(46-47-31-38(32-48-46)35-17-8-3-9-18-35)41-27-28-45-43(30-41)42-21-10-11-22-44(42)50(45)40-20-12-19-37(29-40)34-15-6-2-7-16-34;1-4-12-33(13-5-1)36-20-24-39(25-21-36)49(46-47-31-38(32-48-46)35-16-8-3-9-17-35)41-28-29-45-43(30-41)42-18-10-11-19-44(42)50(45)40-26-22-37(23-27-40)34-14-6-2-7-15-34/h1-30H;2*1-32H
InChIKeyNSNWGKFLJFLNSH-UHFFFAOYSA-N
MW1936.35 g/mol
LogP36.37
Rot. Bonds20

About N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine

N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine (PubChem CID 159873005) has the molecular formula C138H94N12O and a molecular weight of 1936.35 g/mol. Its IUPAC name is N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
PubChem CID159873005
Molecular FormulaC138H94N12O
Molecular Weight1936.35 g/mol
Exact Mass1934.77
IUPAC NameN,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3ncc(-c4ccccc4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)c3ncc(-c4ccccc4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c3ncc(-c4ccccc4)cn3)cc2)cc1
InChIInChI=1S/C46H30N4O.2C46H32N4/c1-3-11-31(12-4-1)33-19-21-35(22-20-33)49(46-47-29-34(30-48-46)32-13-5-2-6-14-32)36-23-25-43-40(27-36)38-15-7-9-17-42(38)50(43)37-24-26-45-41(28-37)39-16-8-10-18-44(39)51-45;1-4-13-33(14-5-1)36-23-25-39(26-24-36)49(46-47-31-38(32-48-46)35-17-8-3-9-18-35)41-27-28-45-43(30-41)42-21-10-11-22-44(42)50(45)40-20-12-19-37(29-40)34-15-6-2-7-16-34;1-4-12-33(13-5-1)36-20-24-39(25-21-36)49(46-47-31-38(32-48-46)35-16-8-3-9-17-35)41-28-29-45-43(30-41)42-18-10-11-19-44(42)50(45)40-26-22-37(23-27-40)34-14-6-2-7-15-34/h1-30H;2*1-32H
InChIKeyNSNWGKFLJFLNSH-UHFFFAOYSA-N
XLogP36.37
TPSA114.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001936.35
LogP ≤ 536.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine with MolForge

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Related Compounds

N-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)pyrimidin-2-amine;12-phenyl-N-(9-phenylcarbazol-3-yl)-N-(5-phenylpyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazol-9-amine;9-phenyl-N-[9-(3-phenylphenyl)carbazol-3-yl]-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 162013324
N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 155139580
9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 155139579
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620
N-[4-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 90321281
N-[4-[4-[3-(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402378
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055

Frequently Asked Questions

What is the IUPAC name of N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
The IUPAC name of N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine (CID 159873005) is N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine.
What is the SMILES notation for N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
The canonical SMILES for N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c3ncc(-c4ccccc4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5ccccc5c4c3)c3ncc(-c4ccccc4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c3ncc(-c4ccccc4)cn3)cc2)cc1.
What is the InChIKey of N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
The InChIKey is NSNWGKFLJFLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O.2C46H32N4/c1-3-11-31(12-4-1)33-19-21-35(22-20-33)49(46-47-29-34(30-48-46)32-13-5-2-6-14-32)36-23-25-43-40(27-36)38-15-7-9-17-42(38)50(43)37-24-26-45-41(28-37)39-16-8-10-18-44(39)51-45;1-4-13-33(14-5-1)36-23-25-39(26-24-36)49(46-47-31-38(32-48-46)35-17-8-3-9-18-35)41-27-28-45-43(30-41)42-21-10-11-22-44(42)50(45)40-20-12-19-37(29-40)34-15-6-2-7-16-34;1-4-12-33(13-5-1)36-20-24-39(25-21-36)49(46-47-31-38(32-48-46)35-16-8-3-9-17-35)41-28-29-45-43(30-41)42-18-10-11-19-44(42)50(45)40-26-22-37(23-27-40)34-14-6-2-7-15-34/h1-30H;2*1-32H.
What are the key properties of N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine?
N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine has a molecular weight of 1936.35 g/mol, XLogP of 36.37, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-bis(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-dibenzofuran-2-yl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine is sourced from PubChem (CID 159873005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).