5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole

C67H41N5 — CID 170005538

IUPAC5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole
SMILESC1=CC=Cc2c(n(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)c3ccccc23)C=1
InChIInChI=1S/C67H41N5/c1-2-22-43-44-23-4-13-33-54(44)68(53(43)32-3-1)63-42-64(69-55-34-14-5-24-45(55)46-25-6-15-35-56(46)69)66(71-59-38-18-9-28-49(59)50-29-10-19-39-60(50)71)67(72-61-40-20-11-30-51(61)52-31-12-21-41-62(52)72)65(63)70-57-36-16-7-26-47(57)48-27-8-17-37-58(48)70/h1-2,4-42H
InChIKeyHZCOSYJDVACKBL-UHFFFAOYSA-N
MW916.10 g/mol
LogP17.21
Rot. Bonds5

About 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole

5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole (PubChem CID 170005538) has the molecular formula C67H41N5 and a molecular weight of 916.10 g/mol. Its IUPAC name is 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole.

Molecular Properties

Compound Name5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole
PubChem CID170005538
Molecular FormulaC67H41N5
Molecular Weight916.10 g/mol
Exact Mass915.34
IUPAC Name5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole
SMILESC1=CC=Cc2c(n(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)c3ccccc23)C=1
InChIInChI=1S/C67H41N5/c1-2-22-43-44-23-4-13-33-54(44)68(53(43)32-3-1)63-42-64(69-55-34-14-5-24-45(55)46-25-6-15-35-56(46)69)66(71-59-38-18-9-28-49(59)50-29-10-19-39-60(50)71)67(72-61-40-20-11-30-51(61)52-31-12-21-41-62(52)72)65(63)70-57-36-16-7-26-47(57)48-27-8-17-37-58(48)70/h1-2,4-42H
InChIKeyHZCOSYJDVACKBL-UHFFFAOYSA-N
XLogP17.21
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.10
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenylcyclohepta[b]indole
CID 123553418
5-(8-carbazol-9-yldibenzofuran-2-yl)cyclohepta[b]indole
CID 144687418
2-[2-[9-[(3E)-hexa-1,3,5-trien-3-yl]carbazol-3-yl]cyclohepta[b]indol-5-yl]-5-methylbenzonitrile
CID 144833865
3-(4,6-dichloro-1,3,5-triazin-2-yl)-5-phenylcyclohepta[b]indole
CID 170078998
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 155141325
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 149037909
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
9-cyclohexa-1,5-dien-3-yn-1-ylcarbazole
CID 171737139
bis(cyclohexa-1,3-dien-5-yne);ethane;methane;9-(9-methylcarbazol-2-yl)carbazole;9-(9-methylcarbazol-3-yl)carbazole
CID 164976192
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495

Frequently Asked Questions

What is the IUPAC name of 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole?
The IUPAC name of 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole (CID 170005538) is 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole.
What is the SMILES notation for 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole?
The canonical SMILES for 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole is C1=CC=Cc2c(n(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)c3ccccc23)C=1.
What is the InChIKey of 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole?
The InChIKey is HZCOSYJDVACKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N5/c1-2-22-43-44-23-4-13-33-54(44)68(53(43)32-3-1)63-42-64(69-55-34-14-5-24-45(55)46-25-6-15-35-56(46)69)66(71-59-38-18-9-28-49(59)50-29-10-19-39-60(50)71)67(72-61-40-20-11-30-51(61)52-31-12-21-41-62(52)72)65(63)70-57-36-16-7-26-47(57)48-27-8-17-37-58(48)70/h1-2,4-42H.
What are the key properties of 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole?
5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole has a molecular weight of 916.10 g/mol, XLogP of 17.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3,4,5-tetra(carbazol-9-yl)phenyl]cyclohepta[b]indole is sourced from PubChem (CID 170005538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).