3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole

C53H37N — CID 167289448

IUPAC3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C(Cc5cc7ccccc7c7ccccc57)C6)ccc43)cc2)cc1
InChIInChI=1S/C53H37N/c1-2-12-35(13-3-1)36-24-27-43(28-25-36)54-52-21-11-10-20-49(52)51-34-38(26-29-53(51)54)37-22-23-40-31-42(46-17-7-9-19-48(46)50(40)33-37)32-41-30-39-14-4-5-15-44(39)47-18-8-6-16-45(41)47/h1-30,33-34,42H,31-32H2
InChIKeyMZDXYORLJGHURN-UHFFFAOYSA-N
MW687.89 g/mol
LogP13.97
Rot. Bonds5

About 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 167289448) has the molecular formula C53H37N and a molecular weight of 687.89 g/mol. Its IUPAC name is 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID167289448
Molecular FormulaC53H37N
Molecular Weight687.89 g/mol
Exact Mass687.29
IUPAC Name3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C(Cc5cc7ccccc7c7ccccc57)C6)ccc43)cc2)cc1
InChIInChI=1S/C53H37N/c1-2-12-35(13-3-1)36-24-27-43(28-25-36)54-52-21-11-10-20-49(52)51-34-38(26-29-53(51)54)37-22-23-40-31-42(46-17-7-9-19-48(46)50(40)33-37)32-41-30-39-14-4-5-15-44(39)47-18-8-6-16-45(41)47/h1-30,33-34,42H,31-32H2
InChIKeyMZDXYORLJGHURN-UHFFFAOYSA-N
XLogP13.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.89
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis[4-(4-phenanthren-9-ylphenyl)phenyl]-9-(4-phenylphenyl)carbazole
CID 118972103
ethane;9-(4-phenanthren-9-ylphenyl)-3,6-bis(4-phenylphenyl)carbazole
CID 144989994
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
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
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
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole (CID 167289448) is 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)-c5ccccc5C(Cc5cc7ccccc7c7ccccc57)C6)ccc43)cc2)cc1.
What is the InChIKey of 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is MZDXYORLJGHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N/c1-2-12-35(13-3-1)36-24-27-43(28-25-36)54-52-21-11-10-20-49(52)51-34-38(26-29-53(51)54)37-22-23-40-31-42(46-17-7-9-19-48(46)50(40)33-37)32-41-30-39-14-4-5-15-44(39)47-18-8-6-16-45(41)47/h1-30,33-34,42H,31-32H2.
What are the key properties of 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 687.89 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(phenanthren-9-ylmethyl)-9,10-dihydrophenanthren-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 167289448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).