2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

C63H43N7 — CID 164785712

IUPAC2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cc(-c6cccc(-c7cncc(-c8cncnc8)c7)c6)cc(-c6cccc(-c7cncc(-c8cncnc8)c7)c6)c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H43N7/c1-63(2)59-17-7-6-16-55(59)56-28-58-57-27-44(18-19-61(57)70(62(58)29-60(56)63)54-14-4-3-5-15-54)47-23-45(40-10-8-12-42(20-40)48-25-50(32-64-30-48)52-34-66-38-67-35-52)22-46(24-47)41-11-9-13-43(21-41)49-26-51(33-65-31-49)53-36-68-39-69-37-53/h3-39H,1-2H3
InChIKeyBIGZRXLCRCEIEO-UHFFFAOYSA-N
MW898.09 g/mol
LogP15.13
Rot. Bonds8

About 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole

2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (PubChem CID 164785712) has the molecular formula C63H43N7 and a molecular weight of 898.09 g/mol. Its IUPAC name is 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
PubChem CID164785712
Molecular FormulaC63H43N7
Molecular Weight898.09 g/mol
Exact Mass897.36
IUPAC Name2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cc(-c6cccc(-c7cncc(-c8cncnc8)c7)c6)cc(-c6cccc(-c7cncc(-c8cncnc8)c7)c6)c5)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C63H43N7/c1-63(2)59-17-7-6-16-55(59)56-28-58-57-27-44(18-19-61(57)70(62(58)29-60(56)63)54-14-4-3-5-15-54)47-23-45(40-10-8-12-42(20-40)48-25-50(32-64-30-48)52-34-66-38-67-35-52)22-46(24-47)41-11-9-13-43(21-41)49-26-51(33-65-31-49)53-36-68-39-69-37-53/h3-39H,1-2H3
InChIKeyBIGZRXLCRCEIEO-UHFFFAOYSA-N
XLogP15.13
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.09
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
[2-[3,5-bis(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]phenyl]-methyl-oxoazanium
CID 123248998
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The IUPAC name of 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole (CID 164785712) is 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5cc(-c6cccc(-c7cncc(-c8cncnc8)c7)c6)cc(-c6cccc(-c7cncc(-c8cncnc8)c7)c6)c5)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
The InChIKey is BIGZRXLCRCEIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N7/c1-63(2)59-17-7-6-16-55(59)56-28-58-57-27-44(18-19-61(57)70(62(58)29-60(56)63)54-14-4-3-5-15-54)47-23-45(40-10-8-12-42(20-40)48-25-50(32-64-30-48)52-34-66-38-67-35-52)22-46(24-47)41-11-9-13-43(21-41)49-26-51(33-65-31-49)53-36-68-39-69-37-53/h3-39H,1-2H3.
What are the key properties of 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole?
2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole has a molecular weight of 898.09 g/mol, XLogP of 15.13, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 164785712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).