N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine

C136H92N14 — CID 158340965

IUPACN-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccc5ccccc5c4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc4c(n3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc4c5ccccc5n(-c5ccccc5)c4n3)cc2)cc1
InChIInChI=1S/2C46H31N5.C44H30N4/c1-4-14-32(15-5-1)33-24-26-36(27-25-33)49(37-28-29-44-40(30-37)38-20-10-12-22-42(38)50(44)34-16-6-2-7-17-34)46-47-31-41-39-21-11-13-23-43(39)51(45(41)48-46)35-18-8-3-9-19-35;1-4-14-32(15-5-1)33-24-26-36(27-25-33)49(37-28-29-43-40(30-37)38-20-10-12-22-41(38)50(43)34-16-6-2-7-17-34)46-47-31-44-45(48-46)39-21-11-13-23-42(39)51(44)35-18-8-3-9-19-35;1-3-11-31(12-4-1)33-21-23-38(24-22-33)47(44-45-29-36(30-46-44)35-20-19-32-13-7-8-14-34(32)27-35)39-25-26-43-41(28-39)40-17-9-10-18-42(40)48(43)37-15-5-2-6-16-37/h2*1-31H;1-30H
InChIKeyGRDQIORPFFGLPH-UHFFFAOYSA-N
MW1922.33 g/mol
LogP35.15
Rot. Bonds18

About N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine

N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine (PubChem CID 158340965) has the molecular formula C136H92N14 and a molecular weight of 1922.33 g/mol. Its IUPAC name is N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine.

Molecular Properties

Compound NameN-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine
PubChem CID158340965
Molecular FormulaC136H92N14
Molecular Weight1922.33 g/mol
Exact Mass1920.76
IUPAC NameN-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccc5ccccc5c4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc4c(n3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc4c5ccccc5n(-c5ccccc5)c4n3)cc2)cc1
InChIInChI=1S/2C46H31N5.C44H30N4/c1-4-14-32(15-5-1)33-24-26-36(27-25-33)49(37-28-29-44-40(30-37)38-20-10-12-22-42(38)50(44)34-16-6-2-7-17-34)46-47-31-41-39-21-11-13-23-43(39)51(45(41)48-46)35-18-8-3-9-19-35;1-4-14-32(15-5-1)33-24-26-36(27-25-33)49(37-28-29-43-40(30-37)38-20-10-12-22-41(38)50(43)34-16-6-2-7-17-34)46-47-31-44-45(48-46)39-21-11-13-23-42(39)51(44)35-18-8-3-9-19-35;1-3-11-31(12-4-1)33-21-23-38(24-22-33)47(44-45-29-36(30-46-44)35-20-19-32-13-7-8-14-34(32)27-35)39-25-26-43-41(28-39)40-17-9-10-18-42(40)48(43)37-15-5-2-6-16-37/h2*1-31H;1-30H
InChIKeyGRDQIORPFFGLPH-UHFFFAOYSA-N
XLogP35.15
TPSA111.71 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.33
LogP ≤ 535.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(5-phenylpyrimidin-2-yl)carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[5-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine
CID 157279634
9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 155139579
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-(5-dibenzofuran-3-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 155139580
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]phenanthren-3-amine
CID 168809831
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
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

Frequently Asked Questions

What is the IUPAC name of N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine?
The IUPAC name of N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine (CID 158340965) is N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine.
What is the SMILES notation for N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine?
The canonical SMILES for N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc(-c4ccc5ccccc5c4)cn3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc4c(n3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ncc4c5ccccc5n(-c5ccccc5)c4n3)cc2)cc1.
What is the InChIKey of N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine?
The InChIKey is GRDQIORPFFGLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H31N5.C44H30N4/c1-4-14-32(15-5-1)33-24-26-36(27-25-33)49(37-28-29-44-40(30-37)38-20-10-12-22-42(38)50(44)34-16-6-2-7-17-34)46-47-31-41-39-21-11-13-23-43(39)51(45(41)48-46)35-18-8-3-9-19-35;1-4-14-32(15-5-1)33-24-26-36(27-25-33)49(37-28-29-43-40(30-37)38-20-10-12-22-41(38)50(43)34-16-6-2-7-17-34)46-47-31-44-45(48-46)39-21-11-13-23-42(39)51(44)35-18-8-3-9-19-35;1-3-11-31(12-4-1)33-21-23-38(24-22-33)47(44-45-29-36(30-46-44)35-20-19-32-13-7-8-14-34(32)27-35)39-25-26-43-41(28-39)40-17-9-10-18-42(40)48(43)37-15-5-2-6-16-37/h2*1-31H;1-30H.
What are the key properties of N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine?
N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine has a molecular weight of 1922.33 g/mol, XLogP of 35.15, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-naphthalen-2-ylpyrimidin-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;5-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[5,4-b]indol-2-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)pyrimido[4,5-b]indol-2-amine is sourced from PubChem (CID 158340965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).