9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine

C27H17N3 — CID 158061606

IUPAC9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine
SMILESc1cc2c3c(cccc3c1)-c1cnc(-n3c4ccccc4c4ccccc43)nc1C2
InChIInChI=1S/C27H17N3/c1-3-13-24-19(10-1)20-11-2-4-14-25(20)30(24)27-28-16-22-21-12-6-8-17-7-5-9-18(26(17)21)15-23(22)29-27/h1-14,16H,15H2
InChIKeyKPJAGJBKJGLCMB-UHFFFAOYSA-N
MW383.45 g/mol
LogP6.30
Rot. Bonds1

About 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine

9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine (PubChem CID 158061606) has the molecular formula C27H17N3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine.

Molecular Properties

Compound Name9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine
PubChem CID158061606
Molecular FormulaC27H17N3
Molecular Weight383.45 g/mol
Exact Mass383.14
IUPAC Name9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine
SMILESc1cc2c3c(cccc3c1)-c1cnc(-n3c4ccccc4c4ccccc43)nc1C2
InChIInChI=1S/C27H17N3/c1-3-13-24-19(10-1)20-11-2-4-14-25(20)30(24)27-28-16-22-21-12-6-8-17-7-5-9-18(26(17)21)15-23(22)29-27/h1-14,16H,15H2
InChIKeyKPJAGJBKJGLCMB-UHFFFAOYSA-N
XLogP6.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7H-phenaleno[2,1-d]pyrimidin-9-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 157221527
4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466267
2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 158215535
3-(7H-benzo[f]perimidin-5-yl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 160879482
2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979695
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-9H-indeno[2,1-d]pyrimidine;4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-9H-indeno[2,1-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine;2-phenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-9H-indeno[2,1-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 162133182
22-(4,6-diphenylpyrimidin-2-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510233
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170369871
13-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122434747
9-[5-[3,5-bis(2-carbazol-9-ylpyrimidin-5-yl)phenyl]pyrimidin-2-yl]carbazole
CID 58827948
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
14-(3,5-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaen-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138569005

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine?
The IUPAC name of 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine (CID 158061606) is 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine.
What is the SMILES notation for 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine?
The canonical SMILES for 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine is c1cc2c3c(cccc3c1)-c1cnc(-n3c4ccccc4c4ccccc43)nc1C2.
What is the InChIKey of 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine?
The InChIKey is KPJAGJBKJGLCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3/c1-3-13-24-19(10-1)20-11-2-4-14-25(20)30(24)27-28-16-22-21-12-6-8-17-7-5-9-18(26(17)21)15-23(22)29-27/h1-14,16H,15H2.
What are the key properties of 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine?
9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine has a molecular weight of 383.45 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-carbazol-9-yl-7H-phenaleno[2,1-d]pyrimidine is sourced from PubChem (CID 158061606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).