1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole

C45H35N — CID 145340801

IUPAC1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3C3=CC=CC4c5ccccc5N(c5ccccc5)C34)cc21
InChIInChI=1S/C45H35N/c1-45(2)41-22-11-9-18-35(41)36-27-25-32(29-42(36)45)34-26-24-31(30-14-5-3-6-15-30)28-40(34)39-21-13-20-38-37-19-10-12-23-43(37)46(44(38)39)33-16-7-4-8-17-33/h3-29,38,44H,1-2H3
InChIKeyIJKFPLQNPQHDOQ-UHFFFAOYSA-N
MW589.78 g/mol
LogP11.58
Rot. Bonds4

About 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole

1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole (PubChem CID 145340801) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole
PubChem CID145340801
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3C3=CC=CC4c5ccccc5N(c5ccccc5)C34)cc21
InChIInChI=1S/C45H35N/c1-45(2)41-22-11-9-18-35(41)36-27-25-32(29-42(36)45)34-26-24-31(30-14-5-3-6-15-30)28-40(34)39-21-13-20-38-37-19-10-12-23-43(37)46(44(38)39)33-16-7-4-8-17-33/h3-29,38,44H,1-2H3
InChIKeyIJKFPLQNPQHDOQ-UHFFFAOYSA-N
XLogP11.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
6-[3-[4-[7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075493
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
CID 155220844
5,18-bis(9,9-dimethylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,15,17-octaene
CID 67953566
18-(9,9-dimethylfluoren-2-yl)-14-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-14-azatetracyclo[13.3.1.02,7.08,13]nonadeca-2,4,6,8,10,12,15,17-octaene
CID 121321602

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole?
The IUPAC name of 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole (CID 145340801) is 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole?
The canonical SMILES for 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccccc4)cc3C3=CC=CC4c5ccccc5N(c5ccccc5)C34)cc21.
What is the InChIKey of 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole?
The InChIKey is IJKFPLQNPQHDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-45(2)41-22-11-9-18-35(41)36-27-25-32(29-42(36)45)34-26-24-31(30-14-5-3-6-15-30)28-40(34)39-21-13-20-38-37-19-10-12-23-43(37)46(44(38)39)33-16-7-4-8-17-33/h3-29,38,44H,1-2H3.
What are the key properties of 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole?
1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 589.78 g/mol, XLogP of 11.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-9-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 145340801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).