N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

C56H36N8 — CID 163795809

IUPACN-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4cnc(-c5ncc(-n6c7ccccc7c7ccccc76)cn5)nc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C56H36N8/c1-3-15-37(16-4-1)62-51-25-13-9-21-45(51)47-31-39(27-29-53(47)62)61(40-28-30-54-48(32-40)46-22-10-14-26-52(46)63(54)38-17-5-2-6-18-38)41-33-57-55(58-34-41)56-59-35-42(36-60-56)64-49-23-11-7-19-43(49)44-20-8-12-24-50(44)64/h1-36H
InChIKeyNARBLYQJFZDPMF-UHFFFAOYSA-N
MW820.96 g/mol
LogP13.69
Rot. Bonds7

About N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (PubChem CID 163795809) has the molecular formula C56H36N8 and a molecular weight of 820.96 g/mol. Its IUPAC name is N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
PubChem CID163795809
Molecular FormulaC56H36N8
Molecular Weight820.96 g/mol
Exact Mass820.31
IUPAC NameN-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4cnc(-c5ncc(-n6c7ccccc7c7ccccc76)cn5)nc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C56H36N8/c1-3-15-37(16-4-1)62-51-25-13-9-21-45(51)47-31-39(27-29-53(47)62)61(40-28-30-54-48(32-40)46-22-10-14-26-52(46)63(54)38-17-5-2-6-18-38)41-33-57-55(58-34-41)56-59-35-42(36-60-56)64-49-23-11-7-19-43(49)44-20-8-12-24-50(44)64/h1-36H
InChIKeyNARBLYQJFZDPMF-UHFFFAOYSA-N
XLogP13.69
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.96
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
CID 135252762
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine
CID 59844205
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The IUPAC name of N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (CID 163795809) is N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.
What is the SMILES notation for N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The canonical SMILES for N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4cnc(-c5ncc(-n6c7ccccc7c7ccccc76)cn5)nc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
The InChIKey is NARBLYQJFZDPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N8/c1-3-15-37(16-4-1)62-51-25-13-9-21-45(51)47-31-39(27-29-53(47)62)61(40-28-30-54-48(32-40)46-22-10-14-26-52(46)63(54)38-17-5-2-6-18-38)41-33-57-55(58-34-41)56-59-35-42(36-60-56)64-49-23-11-7-19-43(49)44-20-8-12-24-50(44)64/h1-36H.
What are the key properties of N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?
N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine has a molecular weight of 820.96 g/mol, XLogP of 13.69, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is sourced from PubChem (CID 163795809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).