1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]

C55H38N2 — CID 143268877

IUPAC1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]
SMILESC=CC1=C(C=C)C2(c3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc32)c2ccccc2N1c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C55H38N2/c1-3-47-51(4-2)56(41-29-31-42(32-30-41)57-52-24-14-11-21-45(52)46-22-12-15-25-53(46)57)54-26-16-13-23-48(54)55(47)49-35-39(37-17-7-5-8-18-37)27-33-43(49)44-34-28-40(36-50(44)55)38-19-9-6-10-20-38/h3-36H,1-2H2
InChIKeyBWVPCNPAEUUNAM-UHFFFAOYSA-N
MW726.92 g/mol
LogP14.21
Rot. Bonds6

About 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]

1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline] (PubChem CID 143268877) has the molecular formula C55H38N2 and a molecular weight of 726.92 g/mol. Its IUPAC name is 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline].

Molecular Properties

Compound Name1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]
PubChem CID143268877
Molecular FormulaC55H38N2
Molecular Weight726.92 g/mol
Exact Mass726.30
IUPAC Name1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]
SMILESC=CC1=C(C=C)C2(c3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc32)c2ccccc2N1c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C55H38N2/c1-3-47-51(4-2)56(41-29-31-42(32-30-41)57-52-24-14-11-21-45(52)46-22-12-15-25-53(46)57)54-26-16-13-23-48(54)55(47)49-35-39(37-17-7-5-8-18-37)27-33-43(49)44-34-28-40(36-50(44)55)38-19-9-6-10-20-38/h3-36H,1-2H2
InChIKeyBWVPCNPAEUUNAM-UHFFFAOYSA-N
XLogP14.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.92
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
7-[4-(10',19-diphenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine]-11-yl)phenyl]-10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene-15,9'-acridine]
CID 139524634
9-phenyl-9-(9-phenylcarbazol-3-yl)-10-[4-(9-phenylcarbazol-3-yl)phenyl]acridine
CID 146511276
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
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene];10-(4,6-diphenyl-2-pyridinyl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 157249791

Frequently Asked Questions

What is the IUPAC name of 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]?
The IUPAC name of 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline] (CID 143268877) is 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline].
What is the SMILES notation for 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]?
The canonical SMILES for 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline] is C=CC1=C(C=C)C2(c3cc(-c4ccccc4)ccc3-c3ccc(-c4ccccc4)cc32)c2ccccc2N1c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]?
The InChIKey is BWVPCNPAEUUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2/c1-3-47-51(4-2)56(41-29-31-42(32-30-41)57-52-24-14-11-21-45(52)46-22-12-15-25-53(46)57)54-26-16-13-23-48(54)55(47)49-35-39(37-17-7-5-8-18-37)27-33-43(49)44-34-28-40(36-50(44)55)38-19-9-6-10-20-38/h3-36H,1-2H2.
What are the key properties of 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline]?
1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline] has a molecular weight of 726.92 g/mol, XLogP of 14.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-carbazol-9-ylphenyl)-2',3'-bis(ethenyl)-2,7-diphenylspiro[fluorene-9,4'-quinoline] is sourced from PubChem (CID 143268877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).