9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole

C127H90N6 — CID 157152386

IUPAC9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc6ccn(-c7ccccc7)c6cc54)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-n4c5ccccc5c5cc6ccn(-c7ccccc7)c6cc54)c3)cc21.c1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4cc32)cc1
InChIInChI=1S/C45H30N2.2C41H30N2/c1-4-14-32(15-5-1)45(33-16-6-2-7-17-33)40-22-12-10-20-36(40)37-25-24-35(29-41(37)45)47-42-23-13-11-21-38(42)39-28-31-26-27-46(43(31)30-44(39)47)34-18-8-3-9-19-34;1-41(2)36-17-8-6-15-32(36)33-20-19-28(25-37(33)41)27-11-10-14-31(23-27)43-38-18-9-7-16-34(38)35-24-29-21-22-42(39(29)26-40(35)43)30-12-4-3-5-13-30;1-41(2)36-14-8-6-12-32(36)33-21-18-28(25-37(33)41)27-16-19-31(20-17-27)43-38-15-9-7-13-34(38)35-24-29-22-23-42(39(29)26-40(35)43)30-10-4-3-5-11-30/h1-30H;2*3-26H,1-2H3
InChIKeyALKGDASDKFQHBR-UHFFFAOYSA-N
MW1700.16 g/mol
LogP32.49
Rot. Bonds10

About 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole

9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole (PubChem CID 157152386) has the molecular formula C127H90N6 and a molecular weight of 1700.16 g/mol. Its IUPAC name is 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole.

Molecular Properties

Compound Name9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole
PubChem CID157152386
Molecular FormulaC127H90N6
Molecular Weight1700.16 g/mol
Exact Mass1698.72
IUPAC Name9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc6ccn(-c7ccccc7)c6cc54)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-n4c5ccccc5c5cc6ccn(-c7ccccc7)c6cc54)c3)cc21.c1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4cc32)cc1
InChIInChI=1S/C45H30N2.2C41H30N2/c1-4-14-32(15-5-1)45(33-16-6-2-7-17-33)40-22-12-10-20-36(40)37-25-24-35(29-41(37)45)47-42-23-13-11-21-38(42)39-28-31-26-27-46(43(31)30-44(39)47)34-18-8-3-9-19-34;1-41(2)36-17-8-6-15-32(36)33-20-19-28(25-37(33)41)27-11-10-14-31(23-27)43-38-18-9-7-16-34(38)35-24-29-21-22-42(39(29)26-40(35)43)30-12-4-3-5-13-30;1-41(2)36-14-8-6-12-32(36)33-21-18-28(25-37(33)41)27-16-19-31(20-17-27)43-38-15-9-7-13-34(38)35-24-29-22-23-42(39(29)26-40(35)43)30-10-4-3-5-11-30/h1-30H;2*3-26H,1-2H3
InChIKeyALKGDASDKFQHBR-UHFFFAOYSA-N
XLogP32.49
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001700.16
LogP ≤ 532.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole with MolForge

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Related Compounds

6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole
CID 161056569
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[3,2-b]carbazole
CID 118316120
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
11-(9,9-dimethylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;11-(9,9-diphenylfluoren-2-yl)-15-phenyl-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-25-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 161341820
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole?
The IUPAC name of 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole (CID 157152386) is 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole.
What is the SMILES notation for 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole?
The canonical SMILES for 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5cc6ccn(-c7ccccc7)c6cc54)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-n4c5ccccc5c5cc6ccn(-c7ccccc7)c6cc54)c3)cc21.c1ccc(-n2ccc3cc4c5ccccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4cc32)cc1.
What is the InChIKey of 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole?
The InChIKey is ALKGDASDKFQHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2.2C41H30N2/c1-4-14-32(15-5-1)45(33-16-6-2-7-17-33)40-22-12-10-20-36(40)37-25-24-35(29-41(37)45)47-42-23-13-11-21-38(42)39-28-31-26-27-46(43(31)30-44(39)47)34-18-8-3-9-19-34;1-41(2)36-17-8-6-15-32(36)33-20-19-28(25-37(33)41)27-11-10-14-31(23-27)43-38-18-9-7-16-34(38)35-24-29-21-22-42(39(29)26-40(35)43)30-12-4-3-5-13-30;1-41(2)36-14-8-6-12-32(36)33-21-18-28(25-37(33)41)27-16-19-31(20-17-27)43-38-15-9-7-13-34(38)35-24-29-22-23-42(39(29)26-40(35)43)30-10-4-3-5-11-30/h1-30H;2*3-26H,1-2H3.
What are the key properties of 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole?
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole has a molecular weight of 1700.16 g/mol, XLogP of 32.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylpyrrolo[2,3-b]carbazole;9-(9,9-diphenylfluoren-2-yl)-1-phenylpyrrolo[2,3-b]carbazole is sourced from PubChem (CID 157152386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).