2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole

C50H42N2 — CID 170277971

IUPAC2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole
SMILESCC1(C)CCC(C)(C)c2c(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)cccc21
InChIInChI=1S/C50H42N2/c1-49(2)28-29-50(3,4)48-38(20-13-21-43(48)49)35-14-12-17-37(30-35)52-45-23-11-9-19-40(45)42-27-25-34(32-47(42)52)33-24-26-41-39-18-8-10-22-44(39)51(46(41)31-33)36-15-6-5-7-16-36/h5-27,30-32H,28-29H2,1-4H3
InChIKeyPBHGXWRVAUUSDR-UHFFFAOYSA-N
MW670.90 g/mol
LogP13.56
Rot. Bonds4

About 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole

2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole (PubChem CID 170277971) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole
PubChem CID170277971
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC Name2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole
SMILESCC1(C)CCC(C)(C)c2c(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)cccc21
InChIInChI=1S/C50H42N2/c1-49(2)28-29-50(3,4)48-38(20-13-21-43(48)49)35-14-12-17-37(30-35)52-45-23-11-9-19-40(45)42-27-25-34(32-47(42)52)33-24-26-41-39-18-8-10-22-44(39)51(46(41)31-33)36-15-6-5-7-16-36/h5-27,30-32H,28-29H2,1-4H3
InChIKeyPBHGXWRVAUUSDR-UHFFFAOYSA-N
XLogP13.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
2-(2-phenylphenyl)-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 170072989
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole
CID 170277828
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole (CID 170277971) is 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole is CC1(C)CCC(C)(C)c2c(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)c3)cccc21.
What is the InChIKey of 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole?
The InChIKey is PBHGXWRVAUUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-49(2)28-29-50(3,4)48-38(20-13-21-43(48)49)35-14-12-17-37(30-35)52-45-23-11-9-19-40(45)42-27-25-34(32-47(42)52)33-24-26-41-39-18-8-10-22-44(39)51(46(41)31-33)36-15-6-5-7-16-36/h5-27,30-32H,28-29H2,1-4H3.
What are the key properties of 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole?
2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole has a molecular weight of 670.90 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole is sourced from PubChem (CID 170277971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).