3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole

C60H38N2Si — CID 155784537

IUPAC3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc2[Si]32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C60H38N2Si/c1-2-14-39(15-3-1)41-28-34-59-51(36-41)52-37-42(29-35-60(52)63(59)57-24-12-7-19-48(57)49-20-8-13-25-58(49)63)40-26-30-43(31-27-40)61-55-23-11-6-18-47(55)50-38-44(32-33-56(50)61)62-53-21-9-4-16-45(53)46-17-5-10-22-54(46)62/h1-38H
InChIKeyARHMWOLAKOZJCW-UHFFFAOYSA-N
MW815.06 g/mol
LogP12.55
Rot. Bonds4

About 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole

3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole (PubChem CID 155784537) has the molecular formula C60H38N2Si and a molecular weight of 815.06 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
PubChem CID155784537
Molecular FormulaC60H38N2Si
Molecular Weight815.06 g/mol
Exact Mass814.28
IUPAC Name3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc2[Si]32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C60H38N2Si/c1-2-14-39(15-3-1)41-28-34-59-51(36-41)52-37-42(29-35-60(52)63(59)57-24-12-7-19-48(57)49-20-8-13-25-58(49)63)40-26-30-43(31-27-40)61-55-23-11-6-18-47(55)50-38-44(32-33-56(50)61)62-53-21-9-4-16-45(53)46-17-5-10-22-54(46)62/h1-38H
InChIKeyARHMWOLAKOZJCW-UHFFFAOYSA-N
XLogP12.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.06
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
CID 90337243
9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-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 140873018
N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 144766102
3-[5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(3-phenylphenyl)carbazole
CID 177132548
12-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[3-[4-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[3-(5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]indolo[3,2-c]carbazole
CID 160624005
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
5-(4,6-diphenylpyrimidin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]spiro[benzo[b][1,4]benzazasiline-10,5'-benzo[b][1]benzosilole]
CID 123558227
3-carbazol-9-yl-9-[4-(2,4,5-triphenylphenyl)phenyl]carbazole
CID 152852425
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole (CID 155784537) is 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole is c1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc2[Si]32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole?
The InChIKey is ARHMWOLAKOZJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2Si/c1-2-14-39(15-3-1)41-28-34-59-51(36-41)52-37-42(29-35-60(52)63(59)57-24-12-7-19-48(57)49-20-8-13-25-58(49)63)40-26-30-43(31-27-40)61-55-23-11-6-18-47(55)50-38-44(32-33-56(50)61)62-53-21-9-4-16-45(53)46-17-5-10-22-54(46)62/h1-38H.
What are the key properties of 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole?
3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole has a molecular weight of 815.06 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole is sourced from PubChem (CID 155784537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).