N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine

C36H23N7 — CID 153411467

IUPACN-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n4nnnc4c3c2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C36H23N7/c1-2-10-24(11-3-1)41(25-17-19-27-28-12-5-7-15-33(28)43-36(31(27)22-25)38-39-40-43)26-18-20-30-29-13-4-6-14-32(29)42(34(30)23-26)35-16-8-9-21-37-35/h1-23H
InChIKeyDQXDBJJAYSZYPB-UHFFFAOYSA-N
MW553.63 g/mol
LogP8.39
Rot. Bonds4

About N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine

N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine (PubChem CID 153411467) has the molecular formula C36H23N7 and a molecular weight of 553.63 g/mol. Its IUPAC name is N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine.

Molecular Properties

Compound NameN-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
PubChem CID153411467
Molecular FormulaC36H23N7
Molecular Weight553.63 g/mol
Exact Mass553.20
IUPAC NameN-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine
SMILESc1ccc(N(c2ccc3c4ccccc4n4nnnc4c3c2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C36H23N7/c1-2-10-24(11-3-1)41(25-17-19-27-28-12-5-7-15-33(28)43-36(31(27)22-25)38-39-40-43)26-18-20-30-29-13-4-6-14-32(29)42(34(30)23-26)35-16-8-9-21-37-35/h1-23H
InChIKeyDQXDBJJAYSZYPB-UHFFFAOYSA-N
XLogP8.39
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.63
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
CID 126631519
N-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]-N-phenyl-9-pyridin-2-ylcarbazol-2-amine
CID 155651880
3-N-[4-(N-[9-(2,3,4,5,6-pentafluorophenyl)carbazol-3-yl]anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;3-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;4-N-[4-(N-phenanthren-9-ylanilino)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N-triphenyl-3-N-[4-(N-(9-pyridin-2-ylcarbazol-3-yl)anilino)phenyl]benzene-1,3-diamine
CID 159202943
N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884607
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
3-[6-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9-pyridin-2-ylcarbazol-3-yl]-N,N-bis(4-methylphenyl)aniline
CID 144565221
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952
acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 163770103
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine?
The IUPAC name of N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine (CID 153411467) is N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine.
What is the SMILES notation for N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine?
The canonical SMILES for N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine is c1ccc(N(c2ccc3c4ccccc4n4nnnc4c3c2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc1.
What is the InChIKey of N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine?
The InChIKey is DQXDBJJAYSZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7/c1-2-10-24(11-3-1)41(25-17-19-27-28-12-5-7-15-33(28)43-36(31(27)22-25)38-39-40-43)26-18-20-30-29-13-4-6-14-32(29)42(34(30)23-26)35-16-8-9-21-37-35/h1-23H.
What are the key properties of N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine?
N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine has a molecular weight of 553.63 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(9-pyridin-2-ylcarbazol-2-yl)tetrazolo[1,5-f]phenanthridin-11-amine is sourced from PubChem (CID 153411467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).