9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole

C62H44N2 — CID 138548370

IUPAC9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(C4(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)C1
InChIInChI=1S/C62H44N2/c1-41-22-39-61-55(40-41)54-16-6-11-21-60(54)64(61)49-37-29-45(30-38-49)43-25-33-47(34-26-43)62(56-17-7-2-12-50(56)51-13-3-8-18-57(51)62)46-31-23-42(24-32-46)44-27-35-48(36-28-44)63-58-19-9-4-14-52(58)53-15-5-10-20-59(53)63/h2-39,41H,40H2,1H3
InChIKeyYTBGLVGONFTASZ-UHFFFAOYSA-N
MW817.05 g/mol
LogP15.63
Rot. Bonds6

About 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole

9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole (PubChem CID 138548370) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
PubChem CID138548370
Molecular FormulaC62H44N2
Molecular Weight817.05 g/mol
Exact Mass816.35
IUPAC Name9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(C4(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)C1
InChIInChI=1S/C62H44N2/c1-41-22-39-61-55(40-41)54-16-6-11-21-60(54)64(61)49-37-29-45(30-38-49)43-25-33-47(34-26-43)62(56-17-7-2-12-50(56)51-13-3-8-18-57(51)62)46-31-23-42(24-32-46)44-27-35-48(36-28-44)63-58-19-9-4-14-52(58)53-15-5-10-20-59(53)63/h2-39,41H,40H2,1H3
InChIKeyYTBGLVGONFTASZ-UHFFFAOYSA-N
XLogP15.63
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
2-(9,9-dimethylfluoren-2-yl)-4-(3-methyl-3,4-dihydrocarbazol-9-yl)aniline
CID 118507114
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
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
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
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-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
N-(4-carbazol-9-ylphenyl)-3-methyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 144995205
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole (CID 138548370) is 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole is CC1C=Cc2c(c3ccccc3n2-c2ccc(-c3ccc(C4(c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)C1.
What is the InChIKey of 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?
The InChIKey is YTBGLVGONFTASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-41-22-39-61-55(40-41)54-16-6-11-21-60(54)64(61)49-37-29-45(30-38-49)43-25-33-47(34-26-43)62(56-17-7-2-12-50(56)51-13-3-8-18-57(51)62)46-31-23-42(24-32-46)44-27-35-48(36-28-44)63-58-19-9-4-14-52(58)53-15-5-10-20-59(53)63/h2-39,41H,40H2,1H3.
What are the key properties of 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole?
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole has a molecular weight of 817.05 g/mol, XLogP of 15.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 138548370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).