10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole

C49H34N4 — CID 90062762

IUPAC10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)nc5ccccc45)cc3)cc21
InChIInChI=1S/C49H34N4/c1-49(2)41-17-9-6-14-36(41)37-26-25-34(30-42(37)49)31-20-22-32(23-21-31)45-40-16-7-10-18-43(40)50-48(51-45)53-44-19-11-8-15-38(44)39-27-24-33-28-29-52(46(33)47(39)53)35-12-4-3-5-13-35/h3-30H,1-2H3
InChIKeyBXMISJPEUPDZQJ-UHFFFAOYSA-N
MW678.84 g/mol
LogP12.31
Rot. Bonds4

About 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole

10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole (PubChem CID 90062762) has the molecular formula C49H34N4 and a molecular weight of 678.84 g/mol. Its IUPAC name is 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
PubChem CID90062762
Molecular FormulaC49H34N4
Molecular Weight678.84 g/mol
Exact Mass678.28
IUPAC Name10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)nc5ccccc45)cc3)cc21
InChIInChI=1S/C49H34N4/c1-49(2)41-17-9-6-14-36(41)37-26-25-34(30-42(37)49)31-20-22-32(23-21-31)45-40-16-7-10-18-43(40)50-48(51-45)53-44-19-11-8-15-38(44)39-27-24-33-28-29-52(46(33)47(39)53)35-12-4-3-5-13-35/h3-30H,1-2H3
InChIKeyBXMISJPEUPDZQJ-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.84
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
5-[11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-[11-(4-naphthalen-1-ylquinazolin-2-yl)benzo[a]carbazol-5-yl]-11-phenylbenzo[a]carbazole;5-(11-phenylbenzo[a]carbazol-5-yl)-11-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[a]carbazole
CID 159898026
19-(4,6-diphenylquinazolin-2-yl)-5,5-dimethyl-19-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,26.020,25]octacosa-1(17),2,4(12),6,8,10,13,15,18(26),20,22,24,27-tridecaene
CID 134337941
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 118637348
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-26-phenyl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-phenyl-26-[4-(7-phenylnaphthalen-2-yl)quinazolin-2-yl]-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 158261971
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 164807901
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
The IUPAC name of 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole (CID 90062762) is 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-n5c6ccccc6c6ccc7ccn(-c8ccccc8)c7c65)nc5ccccc45)cc3)cc21.
What is the InChIKey of 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
The InChIKey is BXMISJPEUPDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N4/c1-49(2)41-17-9-6-14-36(41)37-26-25-34(30-42(37)49)31-20-22-32(23-21-31)45-40-16-7-10-18-43(40)50-48(51-45)53-44-19-11-8-15-38(44)39-27-24-33-28-29-52(46(33)47(39)53)35-12-4-3-5-13-35/h3-30H,1-2H3.
What are the key properties of 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole?
10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole has a molecular weight of 678.84 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90062762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).