3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole

C33H24ClN — CID 137385762

IUPAC3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(Cl)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C33H24ClN/c1-33(2)29-11-7-6-10-25(29)27-19-28-26-17-14-23(34)18-31(26)35(32(28)20-30(27)33)24-15-12-22(13-16-24)21-8-4-3-5-9-21/h3-20H,1-2H3
InChIKeyNHBQNXALCDAHFX-UHFFFAOYSA-N
MW470.02 g/mol
LogP9.41
Rot. Bonds2

About 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole

3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole (PubChem CID 137385762) has the molecular formula C33H24ClN and a molecular weight of 470.02 g/mol. Its IUPAC name is 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole
PubChem CID137385762
Molecular FormulaC33H24ClN
Molecular Weight470.02 g/mol
Exact Mass469.16
IUPAC Name3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(Cl)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C33H24ClN/c1-33(2)29-11-7-6-10-25(29)27-19-28-26-17-14-23(34)18-31(26)35(32(28)20-30(27)33)24-15-12-22(13-16-24)21-8-4-3-5-9-21/h3-20H,1-2H3
InChIKeyNHBQNXALCDAHFX-UHFFFAOYSA-N
XLogP9.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.02
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
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-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole
CID 89492500
N-[4-(28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaen-32-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527931

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
The IUPAC name of 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole (CID 137385762) is 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole.
What is the SMILES notation for 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
The canonical SMILES for 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccc(Cl)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
The InChIKey is NHBQNXALCDAHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24ClN/c1-33(2)29-11-7-6-10-25(29)27-19-28-26-17-14-23(34)18-31(26)35(32(28)20-30(27)33)24-15-12-22(13-16-24)21-8-4-3-5-9-21/h3-20H,1-2H3.
What are the key properties of 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole?
3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole has a molecular weight of 470.02 g/mol, XLogP of 9.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole is sourced from PubChem (CID 137385762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).