4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline

C129H101IN4 — CID 162183501

IUPAC4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccnc4c3ccc3c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccnc34)cc21.CC1(C)c2ccccc2-c2ccc(I)cc21
InChIInChI=1S/C72H56N2.C42H32N2.C15H13I/c1-69(2)57-21-13-9-17-45(57)49-29-25-41(35-61(49)69)55-39-65(43-27-31-51-47-19-11-15-23-59(47)71(5,6)63(51)37-43)73-67-53(55)33-34-54-56(42-26-30-50-46-18-10-14-22-58(46)70(3,4)62(50)36-42)40-66(74-68(54)67)44-28-32-52-48-20-12-16-24-60(48)72(7,8)64(52)38-44;1-41(2)35-11-7-5-9-29(35)31-15-13-25(23-37(31)41)27-19-21-43-39-33(27)17-18-34-28(20-22-44-40(34)39)26-14-16-32-30-10-6-8-12-36(30)42(3,4)38(32)24-26;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h9-40H,1-8H3;5-24H,1-4H3;3-9H,1-2H3
InChIKeyZPIWHZXJSYVHIL-UHFFFAOYSA-N
MW1834.16 g/mol
LogP34.00
Rot. Bonds6

About 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline

4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline (PubChem CID 162183501) has the molecular formula C129H101IN4 and a molecular weight of 1834.16 g/mol. Its IUPAC name is 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
PubChem CID162183501
Molecular FormulaC129H101IN4
Molecular Weight1834.16 g/mol
Exact Mass1832.71
IUPAC Name4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccnc4c3ccc3c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccnc34)cc21.CC1(C)c2ccccc2-c2ccc(I)cc21
InChIInChI=1S/C72H56N2.C42H32N2.C15H13I/c1-69(2)57-21-13-9-17-45(57)49-29-25-41(35-61(49)69)55-39-65(43-27-31-51-47-19-11-15-23-59(47)71(5,6)63(51)37-43)73-67-53(55)33-34-54-56(42-26-30-50-46-18-10-14-22-58(46)70(3,4)62(50)36-42)40-66(74-68(54)67)44-28-32-52-48-20-12-16-24-60(48)72(7,8)64(52)38-44;1-41(2)35-11-7-5-9-29(35)31-15-13-25(23-37(31)41)27-19-21-43-39-33(27)17-18-34-28(20-22-44-40(34)39)26-14-16-32-30-10-6-8-12-36(30)42(3,4)38(32)24-26;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h9-40H,1-8H3;5-24H,1-4H3;3-9H,1-2H3
InChIKeyZPIWHZXJSYVHIL-UHFFFAOYSA-N
XLogP34.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001834.16
LogP ≤ 534.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-[4-[6-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylfluoren-2-yl]-9-(9,9-dimethylfluoren-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 126695211
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,9-diphenyl-1,10-phenanthroline
CID 165384497
2-(7-iodonaphthalen-1-yl)-9,9-dimethylfluorene
CID 126546647
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118474143
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731
3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-2-pyridinyl]-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622537
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-pyridin-3-ylphenyl)benzo[h]quinoline
CID 70836427
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
1-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]isoquinoline
CID 59195043

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The IUPAC name of 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline (CID 162183501) is 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)nc5c4n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccnc4c3ccc3c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccnc34)cc21.CC1(C)c2ccccc2-c2ccc(I)cc21.
What is the InChIKey of 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
The InChIKey is ZPIWHZXJSYVHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2.C42H32N2.C15H13I/c1-69(2)57-21-13-9-17-45(57)49-29-25-41(35-61(49)69)55-39-65(43-27-31-51-47-19-11-15-23-59(47)71(5,6)63(51)37-43)73-67-53(55)33-34-54-56(42-26-30-50-46-18-10-14-22-58(46)70(3,4)62(50)36-42)40-66(74-68(54)67)44-28-32-52-48-20-12-16-24-60(48)72(7,8)64(52)38-44;1-41(2)35-11-7-5-9-29(35)31-15-13-25(23-37(31)41)27-19-21-43-39-33(27)17-18-34-28(20-22-44-40(34)39)26-14-16-32-30-10-6-8-12-36(30)42(3,4)38(32)24-26;1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h9-40H,1-8H3;5-24H,1-4H3;3-9H,1-2H3.
What are the key properties of 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline?
4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline has a molecular weight of 1834.16 g/mol, XLogP of 34.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2-iodo-9,9-dimethylfluorene;2,4,7,9-tetrakis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline is sourced from PubChem (CID 162183501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).