8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C34H25N3 — CID 144848581

IUPAC8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESCC1(C)c2cccnc2-c2c1n(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc21
InChIInChI=1S/C34H25N3/c1-34(2)27-15-10-20-35-32(27)31-25-14-7-9-17-29(25)37(33(31)34)23-18-19-30-26(21-23)24-13-6-8-16-28(24)36(30)22-11-4-3-5-12-22/h3-21H,1-2H3
InChIKeyBEWXWMUVKBYIIT-UHFFFAOYSA-N
MW475.60 g/mol
LogP8.43
Rot. Bonds2

About 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 144848581) has the molecular formula C34H25N3 and a molecular weight of 475.60 g/mol. Its IUPAC name is 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

Compound Name8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
PubChem CID144848581
Molecular FormulaC34H25N3
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESCC1(C)c2cccnc2-c2c1n(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc21
InChIInChI=1S/C34H25N3/c1-34(2)27-15-10-20-35-32(27)31-25-14-7-9-17-29(25)37(33(31)34)23-18-19-30-26(21-23)24-13-6-8-16-28(24)36(30)22-11-4-3-5-12-22/h3-21H,1-2H3
InChIKeyBEWXWMUVKBYIIT-UHFFFAOYSA-N
XLogP8.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene with MolForge

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Related Compounds

6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
8,8-dimethyl-10-(4-phenylpyrimidin-2-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848618
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487712
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
5,18-di(carbazol-9-yl)-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 59147207
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The IUPAC name of 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 144848581) is 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.
What is the SMILES notation for 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The canonical SMILES for 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is CC1(C)c2cccnc2-c2c1n(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)c1ccccc21.
What is the InChIKey of 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The InChIKey is BEWXWMUVKBYIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3/c1-34(2)27-15-10-20-35-32(27)31-25-14-7-9-17-29(25)37(33(31)34)23-18-19-30-26(21-23)24-13-6-8-16-28(24)36(30)22-11-4-3-5-12-22/h3-21H,1-2H3.
What are the key properties of 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 475.60 g/mol, XLogP of 8.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-10-(9-phenylcarbazol-3-yl)-3,10-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 144848581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).