7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole

C51H38N5- — CID 145067653

IUPAC7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole
SMILESC1=C(C2=NC(C3=CC=C(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)CC3)=NC(c3ccccc3)[N-]2)C=C(c2ccccc2)CC1
InChIInChI=1S/C51H38N5/c1-4-15-34(16-5-1)37-19-14-20-38(31-37)51-53-49(35-17-6-2-7-18-35)52-50(54-51)36-27-29-40(30-28-36)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-21-8-3-9-22-39/h1-13,15-18,20-27,29,31-33,49H,14,19,28,30H2/q-1
InChIKeyBHTZNHWRBBOZED-UHFFFAOYSA-N
MW720.90 g/mol
LogP13.14
Rot. Bonds6

About 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole

7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole (PubChem CID 145067653) has the molecular formula C51H38N5- and a molecular weight of 720.90 g/mol. Its IUPAC name is 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole
PubChem CID145067653
Molecular FormulaC51H38N5-
Molecular Weight720.90 g/mol
Exact Mass720.31
IUPAC Name7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole
SMILESC1=C(C2=NC(C3=CC=C(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)CC3)=NC(c3ccccc3)[N-]2)C=C(c2ccccc2)CC1
InChIInChI=1S/C51H38N5/c1-4-15-34(16-5-1)37-19-14-20-38(31-37)51-53-49(35-17-6-2-7-18-35)52-50(54-51)36-27-29-40(30-28-36)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-21-8-3-9-22-39/h1-13,15-18,20-27,29,31-33,49H,14,19,28,30H2/q-1
InChIKeyBHTZNHWRBBOZED-UHFFFAOYSA-N
XLogP13.14
TPSA48.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.90
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole with MolForge

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Related Compounds

9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(3-phenylcyclohexa-1,3-dien-1-yl)carbazole
CID 145264899
9-[4-(4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]carbazole
CID 144680715
9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]phenyl]carbazole
CID 143388767
15-[4-(4,6-diphenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 144969780
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-2-[10-[3-(3-triphenylen-2-ylcyclohexa-1,3-dien-1-yl)phenyl]triphenylen-2-yl]indolo[2,3-a]carbazole
CID 163752070
5-[5-(2,6-diphenyl-4-pyridinyl)cyclohexa-1,3-dien-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 70912465
9-[3-[4-[4-[3-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-6-(4-phenylphenyl)-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl]phenyl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 163638855
9-[3-[4-(5-carbazol-9-ylcyclohexa-1,5-dien-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163561990
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605
5-[6-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-1,2-dihydropyridin-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 146359307
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole (CID 145067653) is 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole is C1=C(C2=NC(C3=CC=C(n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)CC3)=NC(c3ccccc3)[N-]2)C=C(c2ccccc2)CC1.
What is the InChIKey of 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole?
The InChIKey is BHTZNHWRBBOZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N5/c1-4-15-34(16-5-1)37-19-14-20-38(31-37)51-53-49(35-17-6-2-7-18-35)52-50(54-51)36-27-29-40(30-28-36)56-46-26-13-11-24-42(46)44-32-43-41-23-10-12-25-45(41)55(47(43)33-48(44)56)39-21-8-3-9-22-39/h1-13,15-18,20-27,29,31-33,49H,14,19,28,30H2/q-1.
What are the key properties of 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole?
7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole has a molecular weight of 720.90 g/mol, XLogP of 13.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[4-[4-phenyl-6-(5-phenylcyclohexa-1,5-dien-1-yl)-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl]cyclohexa-1,3-dien-1-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 145067653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).