2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole

C72H54N4 — CID 131982515

IUPAC2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
SMILESC1=CC2C3=C(C=CCC3)N(c3ccc(-c4ccc(N5C6=C(C(c7ccc8c9ccccc9n(-c9cccc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)c9)c8c7)CC=C6)[C@@H]6C=CC=CC65)cc4)cc3)C2C=C1
InChIInChI=1S/C72H54N4/c1-7-27-64-57(20-1)58-21-2-8-28-65(58)73(64)52-39-34-47(35-40-52)48-36-41-53(42-37-48)74-69-32-12-6-25-63(69)72-56(26-15-33-70(72)74)51-38-43-62-61-24-5-11-31-68(61)76(71(62)46-51)55-19-14-17-50(45-55)49-16-13-18-54(44-49)75-66-29-9-3-22-59(66)60-23-4-10-30-67(60)75/h1,3-20,22-25,27-46,56-57,63-64,69H,2,21,26H2/t56?,57?,63-,64?,69?/m1/s1
InChIKeySQPTZZFYVXYTJW-TUVVGNHNSA-N
MW975.25 g/mol
LogP17.68
Rot. Bonds7

About 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole

2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole (PubChem CID 131982515) has the molecular formula C72H54N4 and a molecular weight of 975.25 g/mol. Its IUPAC name is 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
PubChem CID131982515
Molecular FormulaC72H54N4
Molecular Weight975.25 g/mol
Exact Mass974.43
IUPAC Name2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
SMILESC1=CC2C3=C(C=CCC3)N(c3ccc(-c4ccc(N5C6=C(C(c7ccc8c9ccccc9n(-c9cccc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)c9)c8c7)CC=C6)[C@@H]6C=CC=CC65)cc4)cc3)C2C=C1
InChIInChI=1S/C72H54N4/c1-7-27-64-57(20-1)58-21-2-8-28-65(58)73(64)52-39-34-47(35-40-52)48-36-41-53(42-37-48)74-69-32-12-6-25-63(69)72-56(26-15-33-70(72)74)51-38-43-62-61-24-5-11-31-68(61)76(71(62)46-51)55-19-14-17-50(45-55)49-16-13-18-54(44-49)75-66-29-9-3-22-59(66)60-23-4-10-30-67(60)75/h1,3-20,22-25,27-46,56-57,63-64,69H,2,21,26H2/t56?,57?,63-,64?,69?/m1/s1
InChIKeySQPTZZFYVXYTJW-TUVVGNHNSA-N
XLogP17.68
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.25
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole with MolForge

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Related Compounds

2-[3-(4b,8a-dihydrotriphenylen-2-yl)phenyl]triphenylene;9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2-[3-(3,5-diphenylphenyl)phenyl]triphenylene;methane;46,48,51,54-tetraphenyl-46,48,51,54-tetrazatridecacyclo[39.3.1.12,6.13,44.17,11.110,13.112,16.117,21.120,23.124,28.129,33.134,37.136,40]hexapentaconta-1(44),2,4,6(56),7(55),8,10,12,14,16(53),17(52),18,20,24,26,28(50),29(49),30,32,36,38,40(47),41(45),42-tetracosaene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 162201594
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
4-(4-carbazol-9-ylphenyl)-N-[4-(4-methyl-3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]-N-phenylaniline
CID 129311772
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
1-(3,4,4b,8a-tetrahydrocarbazol-9-yl)-9-[9-(2,6-diphenylphenyl)carbazol-1-yl]carbazole
CID 170375431
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024

Frequently Asked Questions

What is the IUPAC name of 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole?
The IUPAC name of 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole (CID 131982515) is 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole?
The canonical SMILES for 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole is C1=CC2C3=C(C=CCC3)N(c3ccc(-c4ccc(N5C6=C(C(c7ccc8c9ccccc9n(-c9cccc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)c9)c8c7)CC=C6)[C@@H]6C=CC=CC65)cc4)cc3)C2C=C1.
What is the InChIKey of 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole?
The InChIKey is SQPTZZFYVXYTJW-TUVVGNHNSA-N. The full InChI is InChI=1S/C72H54N4/c1-7-27-64-57(20-1)58-21-2-8-28-65(58)73(64)52-39-34-47(35-40-52)48-36-41-53(42-37-48)74-69-32-12-6-25-63(69)72-56(26-15-33-70(72)74)51-38-43-62-61-24-5-11-31-68(61)76(71(62)46-51)55-19-14-17-50(45-55)49-16-13-18-54(44-49)75-66-29-9-3-22-59(66)60-23-4-10-30-67(60)75/h1,3-20,22-25,27-46,56-57,63-64,69H,2,21,26H2/t56?,57?,63-,64?,69?/m1/s1.
What are the key properties of 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole?
2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole has a molecular weight of 975.25 g/mol, XLogP of 17.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4bS)-9-[4-[4-(3,4,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-3,4,4b,8a-tetrahydrocarbazol-4-yl]-9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 131982515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).