7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine

C59H43N — CID 59183083

IUPAC7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccccc6)ccc4-5)c4c3cnc3ccccc34)cc21
InChIInChI=1S/C59H43N/c1-58(2)50-31-38(36-15-7-5-8-16-36)23-27-42(50)44-29-25-40(33-52(44)58)55-46-19-11-12-20-47(46)56(57-48-21-13-14-22-54(48)60-35-49(55)57)41-26-30-45-43-28-24-39(37-17-9-6-10-18-37)32-51(43)59(3,4)53(45)34-41/h5-35H,1-4H3
InChIKeyMMTJOCZNZNNPNB-UHFFFAOYSA-N
MW766.00 g/mol
LogP15.82
Rot. Bonds4

About 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine

7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine (PubChem CID 59183083) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine.

Molecular Properties

Compound Name7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine
PubChem CID59183083
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC Name7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccccc6)ccc4-5)c4c3cnc3ccccc34)cc21
InChIInChI=1S/C59H43N/c1-58(2)50-31-38(36-15-7-5-8-16-36)23-27-42(50)44-29-25-40(33-52(44)58)55-46-19-11-12-20-47(46)56(57-48-21-13-14-22-54(48)60-35-49(55)57)41-26-30-45-43-28-24-39(37-17-9-6-10-18-37)32-51(43)59(3,4)53(45)34-41/h5-35H,1-4H3
InChIKeyMMTJOCZNZNNPNB-UHFFFAOYSA-N
XLogP15.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine
CID 59183936
7,12-bis[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[j]phenanthridine
CID 59183754
7-[9,9-dimethyl-7-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)fluoren-2-yl]-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59182996
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
7-(3-naphthalen-2-ylphenyl)-12-phenylbenzo[j]phenanthridine
CID 59183474
7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
CID 59183805
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine?
The IUPAC name of 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine (CID 59183083) is 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine.
What is the SMILES notation for 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine?
The canonical SMILES for 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccccc6)ccc4-5)c4c3cnc3ccccc34)cc21.
What is the InChIKey of 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine?
The InChIKey is MMTJOCZNZNNPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-58(2)50-31-38(36-15-7-5-8-16-36)23-27-42(50)44-29-25-40(33-52(44)58)55-46-19-11-12-20-47(46)56(57-48-21-13-14-22-54(48)60-35-49(55)57)41-26-30-45-43-28-24-39(37-17-9-6-10-18-37)32-51(43)59(3,4)53(45)34-41/h5-35H,1-4H3.
What are the key properties of 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine?
7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine has a molecular weight of 766.00 g/mol, XLogP of 15.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine is sourced from PubChem (CID 59183083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).