3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole

C114H77N3 — CID 126728057

IUPAC3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc(-c5cc(-c6ccc7c(c6)-c6ccccc6C(c6cc(-c8ccccc8)cc(-c8ccccc8)c6)C7)cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4)n3)c2)cc1
InChIInChI=1S/C114H77N3/c1-9-29-76(30-10-1)90-57-91(77-31-11-2-12-32-77)65-100(64-90)108-74-88-54-53-86(72-107(88)104-45-25-26-46-105(104)108)96-60-89(61-97(62-96)87-55-56-113-109(73-87)106-47-27-28-48-112(106)117(113)103-70-98(82-41-21-7-22-42-82)63-99(71-103)83-43-23-8-24-44-83)84-49-51-85(52-50-84)114-115-110(101-66-92(78-33-13-3-14-34-78)58-93(67-101)79-35-15-4-16-36-79)75-111(116-114)102-68-94(80-37-17-5-18-38-80)59-95(69-102)81-39-19-6-20-40-81/h1-73,75,108H,74H2
InChIKeyKNAPPGXLELPTTI-UHFFFAOYSA-N
MW1488.89 g/mol
LogP30.27
Rot. Bonds16

About 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole

3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole (PubChem CID 126728057) has the molecular formula C114H77N3 and a molecular weight of 1488.89 g/mol. Its IUPAC name is 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
PubChem CID126728057
Molecular FormulaC114H77N3
Molecular Weight1488.89 g/mol
Exact Mass1487.61
IUPAC Name3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc(-c5cc(-c6ccc7c(c6)-c6ccccc6C(c6cc(-c8ccccc8)cc(-c8ccccc8)c6)C7)cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4)n3)c2)cc1
InChIInChI=1S/C114H77N3/c1-9-29-76(30-10-1)90-57-91(77-31-11-2-12-32-77)65-100(64-90)108-74-88-54-53-86(72-107(88)104-45-25-26-46-105(104)108)96-60-89(61-97(62-96)87-55-56-113-109(73-87)106-47-27-28-48-112(106)117(113)103-70-98(82-41-21-7-22-42-82)63-99(71-103)83-43-23-8-24-44-83)84-49-51-85(52-50-84)114-115-110(101-66-92(78-33-13-3-14-34-78)58-93(67-101)79-35-15-4-16-36-79)75-111(116-114)102-68-94(80-37-17-5-18-38-80)59-95(69-102)81-39-19-6-20-40-81/h1-73,75,108H,74H2
InChIKeyKNAPPGXLELPTTI-UHFFFAOYSA-N
XLogP30.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001488.89
LogP ≤ 530.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 157469186
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 71287038
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 139500401
3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
CID 169131711

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole?
The IUPAC name of 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole (CID 126728057) is 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole.
What is the SMILES notation for 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole?
The canonical SMILES for 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc(-c5cc(-c6ccc7c(c6)-c6ccccc6C(c6cc(-c8ccccc8)cc(-c8ccccc8)c6)C7)cc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc4)n3)c2)cc1.
What is the InChIKey of 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole?
The InChIKey is KNAPPGXLELPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H77N3/c1-9-29-76(30-10-1)90-57-91(77-31-11-2-12-32-77)65-100(64-90)108-74-88-54-53-86(72-107(88)104-45-25-26-46-105(104)108)96-60-89(61-97(62-96)87-55-56-113-109(73-87)106-47-27-28-48-112(106)117(113)103-70-98(82-41-21-7-22-42-82)63-99(71-103)83-43-23-8-24-44-83)84-49-51-85(52-50-84)114-115-110(101-66-92(78-33-13-3-14-34-78)58-93(67-101)79-35-15-4-16-36-79)75-111(116-114)102-68-94(80-37-17-5-18-38-80)59-95(69-102)81-39-19-6-20-40-81/h1-73,75,108H,74H2.
What are the key properties of 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole?
3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole has a molecular weight of 1488.89 g/mol, XLogP of 30.27, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]-5-[9-(3,5-diphenylphenyl)-9,10-dihydrophenanthren-3-yl]phenyl]-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 126728057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).