4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide

C63H51N4- — CID 163916284

IUPAC4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide
SMILESCC1(C)C2=CC=C(C3=NC(c4cccc(N5c6cccc(C7CC=Cc8c7c7c(n8-c8ccccc8)C=CCC7)c6C6C=CC=CC65)c4)[N-]c4c3ccc3ccccc43)CC2c2ccccc21
InChIInChI=1S/C63H51N4/c1-63(2)52-28-11-8-23-45(52)51-38-40(34-36-53(51)63)60-50-35-33-39-17-6-7-22-44(39)61(50)65-62(64-60)41-18-14-21-43(37-41)67-55-30-13-10-25-49(55)59-47(27-16-32-57(59)67)46-26-15-31-56-58(46)48-24-9-12-29-54(48)66(56)42-19-4-3-5-20-42/h3-8,10-23,25,27-37,46,49,51,55,62H,9,24,26,38H2,1-2H3/q-1
InChIKeyQWNJLZZMAOBFET-UHFFFAOYSA-N
MW864.13 g/mol
LogP15.71
Rot. Bonds5

About 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide

4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide (PubChem CID 163916284) has the molecular formula C63H51N4- and a molecular weight of 864.13 g/mol. Its IUPAC name is 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide.

Molecular Properties

Compound Name4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide
PubChem CID163916284
Molecular FormulaC63H51N4-
Molecular Weight864.13 g/mol
Exact Mass863.41
IUPAC Name4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide
SMILESCC1(C)C2=CC=C(C3=NC(c4cccc(N5c6cccc(C7CC=Cc8c7c7c(n8-c8ccccc8)C=CCC7)c6C6C=CC=CC65)c4)[N-]c4c3ccc3ccccc43)CC2c2ccccc21
InChIInChI=1S/C63H51N4/c1-63(2)52-28-11-8-23-45(52)51-38-40(34-36-53(51)63)60-50-35-33-39-17-6-7-22-44(39)61(50)65-62(64-60)41-18-14-21-43(37-41)67-55-30-13-10-25-49(55)59-47(27-16-32-57(59)67)46-26-15-31-56-58(46)48-24-9-12-29-54(48)66(56)42-19-4-3-5-20-42/h3-8,10-23,25,27-37,46,49,51,55,62H,9,24,26,38H2,1-2H3/q-1
InChIKeyQWNJLZZMAOBFET-UHFFFAOYSA-N
XLogP15.71
TPSA34.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.13
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide with MolForge

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Related Compounds

2-[3-[6-(9-phenylcarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-4-(4-phenylphenyl)-2H-benzo[h]quinazolin-1-ide
CID 163801601
N-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-9-phenyl-5,6-dihydrocarbazol-3-amine
CID 71016523
2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),8,10,17(25),18,20,22,26-undecaen-6-yl)-5-(3,4,5,6-tetrahydrocarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 155237517
10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole
CID 66807364
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 167382039
5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole
CID 146858209
5-[2-[2-[(9aS)-4a,9a-dihydrocarbazol-9-yl]phenyl]cyclohexa-1,3-dien-1-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126695741
7,7-dimethyl-5-phenyl-11b,12-dihydroindeno[2,1-b]carbazole
CID 67950482
6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
CID 144579160
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide?
The IUPAC name of 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide (CID 163916284) is 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide.
What is the SMILES notation for 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide?
The canonical SMILES for 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide is CC1(C)C2=CC=C(C3=NC(c4cccc(N5c6cccc(C7CC=Cc8c7c7c(n8-c8ccccc8)C=CCC7)c6C6C=CC=CC65)c4)[N-]c4c3ccc3ccccc43)CC2c2ccccc21.
What is the InChIKey of 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide?
The InChIKey is QWNJLZZMAOBFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N4/c1-63(2)52-28-11-8-23-45(52)51-38-40(34-36-53(51)63)60-50-35-33-39-17-6-7-22-44(39)61(50)65-62(64-60)41-18-14-21-43(37-41)67-55-30-13-10-25-49(55)59-47(27-16-32-57(59)67)46-26-15-31-56-58(46)48-24-9-12-29-54(48)66(56)42-19-4-3-5-20-42/h3-8,10-23,25,27-37,46,49,51,55,62H,9,24,26,38H2,1-2H3/q-1.
What are the key properties of 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide?
4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide has a molecular weight of 864.13 g/mol, XLogP of 15.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)-2-[3-[5-(9-phenyl-3,4,5,6-tetrahydrocarbazol-4-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-2H-benzo[h]quinazolin-1-ide is sourced from PubChem (CID 163916284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).