9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole

C162H115N3 — CID 159637471

IUPAC9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc5ccccc5c5ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccc(c1)c2c34
InChIInChI=1S/C56H41N.C54H37N.C52H37N/c1-56(2,3)42-33-40-27-31-48-50(39-25-29-43(30-26-39)57-52-19-11-9-17-46(52)47-18-10-12-20-53(47)57)35-51(49-32-28-41(34-42)54(40)55(48)49)45-16-8-7-15-44(45)38-23-21-37(22-24-38)36-13-5-4-6-14-36;1-54(2,3)40-29-37-21-25-44-46(32-19-23-41(24-20-32)55-48-13-6-4-11-42(48)43-12-5-7-14-49(43)55)31-47(45-26-22-38(30-40)52(37)53(44)45)39-27-35-17-15-33-9-8-10-34-16-18-36(28-39)51(35)50(33)34;1-52(2,3)36-28-34-22-26-43-45(32-20-24-37(25-21-32)53-48-18-10-8-16-41(48)42-17-9-11-19-49(42)53)31-47(44-27-23-35(29-36)50(34)51(43)44)46-30-33-12-4-5-13-38(33)39-14-6-7-15-40(39)46/h4-35H,1-3H3;4-31H,1-3H3;4-31H,1-3H3
InChIKeyMPXSCAPQSGHBMJ-UHFFFAOYSA-N
MW2103.72 g/mol
LogP45.48
Rot. Bonds11

About 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole

9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole (PubChem CID 159637471) has the molecular formula C162H115N3 and a molecular weight of 2103.72 g/mol. Its IUPAC name is 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole
PubChem CID159637471
Molecular FormulaC162H115N3
Molecular Weight2103.72 g/mol
Exact Mass2101.91
IUPAC Name9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc5ccccc5c5ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccc(c1)c2c34
InChIInChI=1S/C56H41N.C54H37N.C52H37N/c1-56(2,3)42-33-40-27-31-48-50(39-25-29-43(30-26-39)57-52-19-11-9-17-46(52)47-18-10-12-20-53(47)57)35-51(49-32-28-41(34-42)54(40)55(48)49)45-16-8-7-15-44(45)38-23-21-37(22-24-38)36-13-5-4-6-14-36;1-54(2,3)40-29-37-21-25-44-46(32-19-23-41(24-20-32)55-48-13-6-4-11-42(48)43-12-5-7-14-49(43)55)31-47(45-26-22-38(30-40)52(37)53(44)45)39-27-35-17-15-33-9-8-10-34-16-18-36(28-39)51(35)50(33)34;1-52(2,3)36-28-34-22-26-43-45(32-20-24-37(25-21-32)53-48-18-10-8-16-41(48)42-17-9-11-19-49(42)53)31-47(44-27-23-35(29-36)50(34)51(43)44)46-30-33-12-4-5-13-38(33)39-14-6-7-15-40(39)46/h4-35H,1-3H3;4-31H,1-3H3;4-31H,1-3H3
InChIKeyMPXSCAPQSGHBMJ-UHFFFAOYSA-N
XLogP45.48
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002103.72
LogP ≤ 545.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[4-(7-tert-butyl-3-methylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-naphthalen-1-ylpyren-1-yl)phenyl]carbazole;9-[4-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]carbazole;9-[3-(7-tert-butylpyren-1-yl)-5-carbazol-9-ylphenyl]carbazole;9-[4-[4-(7-tert-butylpyren-1-yl)phenyl]phenyl]carbazole;9-[4-(3,7-ditert-butylpyren-1-yl)phenyl]carbazole
CID 160928553
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055
3-(2-phenanthren-9-ylphenyl)-9-phenylcarbazole
CID 87171359
7-tert-butyl-1-(8-naphthalen-1-yl-6-phenanthren-9-ylnaphthalen-2-yl)pyrene
CID 59629694
2-(10-phenanthren-2-ylanthracen-9-yl)-9-phenylcarbazole;9-phenanthren-2-yl-10-phenanthren-9-ylanthracene;9-phenanthren-2-yl-10-(4-phenylphenyl)anthracene;2-(10-pyren-2-ylanthracen-9-yl)pyrene
CID 159003885
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
3-[4-[7-tert-butyl-3-(4-naphthalen-1-ylphenyl)pyren-1-yl]phenyl]pyridine;2-[4-[7-tert-butyl-3-[4-(4-pyridin-4-ylphenyl)phenyl]pyren-1-yl]phenyl]pyridine;3-[7-tert-butyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]-9-phenylcarbazole
CID 162019578
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 159415569
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole (CID 159637471) is 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole is CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4cc5ccccc5c5ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)c4ccc(c1)c2c34.
What is the InChIKey of 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole?
The InChIKey is MPXSCAPQSGHBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N.C54H37N.C52H37N/c1-56(2,3)42-33-40-27-31-48-50(39-25-29-43(30-26-39)57-52-19-11-9-17-46(52)47-18-10-12-20-53(47)57)35-51(49-32-28-41(34-42)54(40)55(48)49)45-16-8-7-15-44(45)38-23-21-37(22-24-38)36-13-5-4-6-14-36;1-54(2,3)40-29-37-21-25-44-46(32-19-23-41(24-20-32)55-48-13-6-4-11-42(48)43-12-5-7-14-49(43)55)31-47(45-26-22-38(30-40)52(37)53(44)45)39-27-35-17-15-33-9-8-10-34-16-18-36(28-39)51(35)50(33)34;1-52(2,3)36-28-34-22-26-43-45(32-20-24-37(25-21-32)53-48-18-10-8-16-41(48)42-17-9-11-19-49(42)53)31-47(44-27-23-35(29-36)50(34)51(43)44)46-30-33-12-4-5-13-38(33)39-14-6-7-15-40(39)46/h4-35H,1-3H3;4-31H,1-3H3;4-31H,1-3H3.
What are the key properties of 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole?
9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole has a molecular weight of 2103.72 g/mol, XLogP of 45.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7-tert-butyl-3-phenanthren-9-ylpyren-1-yl)phenyl]carbazole;9-[4-[7-tert-butyl-3-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-(7-tert-butyl-3-pyren-2-ylpyren-1-yl)phenyl]carbazole is sourced from PubChem (CID 159637471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).